Iterative Library Enumeration usinf RDKit

RDKit Library Enumeration.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "RDKit Version: 2017.09.2\n"
     ]
    }
   ],
   "source": [
    "import os\n",
    "\n",
    "from rdkit import rdBase\n",
    "\n",
    "from rdkit import Chem\n",
    "from rdkit.Chem import AllChem\n",
    "from rdkit.Chem import Draw\n",
    "from rdkit.Chem import rdChemReactions\n",
    "from IPython.display import display\n",
    "\n",
    "print(\"RDKit Version: %s\" % rdBase.rdkitVersion)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<PIL.Image.Image image mode=RGBA size=1000x200 at 0x90059B0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "amine = Chem.MolFromSmiles('NCCCCN')\n",
    "acyl = Chem.MolFromSmiles('c1ccccc1CCl')\n",
    "rxn = AllChem.ReactionFromSmarts('[#7:1].[#6:2][Cl:3]>>[#6:2][#7:1].[Cl:3]')\n",
    "\n",
    "display(Draw.ReactionToImage(rxn))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "iVBORw0KGgoAAAANSUhEUgAAAlgAAADICAYAAAA0n5+2AAAfGUlEQVR4nO3de1RVZcLH8R8mYqB4hcQiL3lJM1BZYtySDDNNRXOcWZW+0WWgxlKbyXTeTKyVE61soiabmJnsrr1qFimkoqYjl1QENUsLdFITU8YURVRuz/uHSZocFdycfYDvZ61nrdFnn3N+J9dwfjx7n/24GWOMAACoOTe7AwCuqondAQAAABoaChYAAIDFKFgAAAAWo2ABAABYjIIFAABgMQoWAACAxShYAAAAFqNgAQAAWIyCBQAAYDEKFgAAgMUoWAAAABajYAEAAFiMggUAAGAxChYAAIDFKFgAAAAWo2ABAABYjIIFAABgMQoWAACAxShYAAAAFqNgAQAAWIyCBQAAYDEKFgAAgMUoWAAAABajYAEAAFiMggUAAGAxChYAAIDFKFgAAAAWo2ABAABYjIIFAABgMQoWAACAxShYAAAAFqNgAQAAWIyCBQAAYDEKFgAAgMUoWAAAABajYAEAAFiMggUAAGAxChYAAIDFKFgAAAAWo2ABAABYjIIFAABgMQoWAACAxShYAAAAFqNgAQAAWIyCBQAAYDEKFgAAgMUoWAAAABajYAEAAFiMggUAAGAxChYAAIDFKFgAAAAWo2ABAABYjIIFAABgMQoWAACAxShYAAAAFqNgAQAAWIyCBQAAYDEKFgAAgMUoWAAAABajYAEAAFiMggUAAGAxChaAOlFaWmp3BACwTVO7AwBoGHbv3q309HRlZGQoPT1dTZs21ZAhQzRnzhy7owGA01GwANRYUVGRvvzyS2VlZSkrK0tffvmliouL1bt3b4WEhGjq1Kny8fHRhAkT1KJFC82aNcvuyADgVBQsAJdUUFBQtTKVkZGh3NxceXp6KjAwUOHh4XrssccUGhqqdu3anfe4lJQUDRkyRK1atdITTzxhU3oAcD43Y4yxOwQA11FSUqKcnBxt3rxZGRkZWrt2rQoLC+Xn56fw8HCFhYUpKChIAwcOlLu7+yWfb+nSpRo7dqz+8Y9/KCYmpu7fAJzJze4AgKuiYAGNXEFBQVWZSk9PV3Z2tiorKxUQEKCwsDCFh4dr0KBB8vX1rfVrfPjhh3rooYf08ccf66677rIwPWxGwQIcoGABjUh5ebm+/fbbqjKVnp6u//znP/Lz81NQUFDVCtWAAQPk4eFh6WvPnTtXU6dO1YoVKxQREWHpc8M2FCzAAQoW0IAdPHhQGzdurFqhysjIUFlZmXr06FFVpsLDw9W1a1en5JkxY4Zef/11ffHFF+rXr59TXhN1ioIFOEDBAhqIiooK7dy587zTfTt27JC3t7cGDBhQVabCwsJ09dVX25ZzypQpWrBggdavX68ePXrYlgOWoGABDlCwgHru+PHjev755/X3v/9dJSUluummmxQaGqqQkBCFhoaqW7duTsuSmpqqN954Q0uWLFGzZs2qPaayslL33nuvNm3apPT0dPn5+TktHyxHwQIcoGAB9dxbb72l+Ph4vf322xo4cKC8vb1ty1JYWKiIiAj16tVLixYtUtOm1d8JpqysTNHR0dq3b5/WrVuntm3bOjkpLELBAhygYAH13MiRI9WjRw+9/PLLdkeRJO3bt09hYWEaPHiw3n77bbm5Vf8ZXFJSoqFDh6q8vFyrVq2Sl5eXk5PCAhQswAH2IgTqseLiYq1atUrR0dF2R6ni7++v1NRULV26VDNmzHB4nKenp5YtW6aTJ09q9OjROn36tBNTAkDdomAB9djy5cvl5eWl0NBQu6Ocp0+fPkpNTdVrr7120b0IW7VqpdTUVO3atUsPPPCAKisrnZgSAOoOBQuox5KTkzVq1CiH1zrZaeDAgfrkk0/0zDPP6K233nJ4XMeOHZWWlqYvvvhCjz/+uBMTAkDdoWAB9VR5ebk+//xzh6cHDx8+rI0bNzo51fmioqL04Ycf6g9/+IM+/vhjh8fdcMMNWrlypRYsWMDG0AAaBAoWUE+tW7dOJSUlioqKqnZ+0aJFuu+++5yc6kJ33323EhMTdd999yktLc3hcTfffLNSUlI0Z84cvfLKK05MCADWc73zCgAuS3JysoYOHerw23fJyckaM2aMk1NV79FHH1VhYaF+85vfaM2aNQoKCqr2uJCQEC1YsEBjx45VmzZt2BwaQL3FChZQTy1btszh6cHjx4/riy++cKlvF86cOVMPP/yw7rzzTu3cudPhcSNHjtS8efP0yCOPKCUlxYkJAcA6rGAB9VBOTo727t2ru+66q9r51NRUtWrVSrfccouTk13cnDlzdOTIEQ0ZMkQZGRm6/vrrqz1u/PjxKioq0rhx49gcGkC9xAoWUA8lJycrPDxcPj4+DudHjRqlq666ysnJLs7NzU1JSUkKDAzUkCFDdOjQIYfHTpw4UX/84x81cuRI5ebmOjHlldm/f79SUlJ07Ngxu6MAsBF3cgfqocDAQMXExOiJJ564YK6srEy+vr56//33NWLECBvSXdrJkyd155136tSpU1q9erVatGjh8FhX3hy6vLxcW7ZsUWZmprKyspSZmam9e/fK19dXFRUVWrNmjQICAuyOWZe4kzvgAAULqGe+//57de3aVfn5+eratesF8ytXrtTYsWNVWFio5s2b25Dw8hw7dkyRkZFq06aNUlNT5eHhUe1xrrQ59LFjx7Rx40alp6crIyNDmZmZOn36tHr27Knw8HCFhYUpKChIN910k0sXQwtRsAAHKFhAPfPKK6/onXfe0datW6udnzhxog4ePKjFixc7OVnNnbs59OLFix2e0rRrc+jdu3dXlan09HTt2LFDLVu2VHBwcFWZioiIUOvWrS94rCsVwzpEwQIcoGAB9UxkZKQGDRqkZ5999oI5Y4yuv/56/eUvf9GECRNsSFdzu3fvVkREhIYMGXLJzaHvuOMOVVRU1Mnm0MXFxdqyZUtVmcrMzNRPP/2krl27VpWp8PBw9evXT02aXN7lq3YVQyeiYAEOULCAeuTw4cPq0KGDNmzYoP79+18wv2nTJoWGhurHH39Uu3btbEhYO9u3b9egQYP0yCOPaPbs2Q6PO3r0qCIjI+Xr66ulS5c6PK14OQoKCqrKVEZGhnJzc+Xp6anAwMCq032hoaFX/N+xpKREQ4cOVVlZmVavXm15MbQZBQtwgIKFK7JgwQIdO3ZMQ4cOVefOne2O0+C98847mjFjhvbt21ftSs+MGTP05ZdfatWqVTakuzIbNmxQVFSU4uPj9eSTTzo8rqCgQOHh4brlllv0wQcfXNZqUllZmbZt21ZVptatW6dDhw7Jz8/vvGunBg4cKHd3dyvfliSpqKhIkZGRat++vZYtW3ZFxdDFULAAByhYqJU9e/YoLi5OWVlZ6t27t3JycvTggw/q6aef1nXXXWd3vAZrzJgx8vf312uvvVbtfJ8+fRQXF1dvN01etWqVRowYoblz5+qhhx5yeNyuXbsUHh6uu+++W3Pnzr1gvqCgQJs3b65aocrOzlZlZaUCAgIUFham8PBwDRo0SL6+vnX5di7IVNNiWA9QsABHDFADlZWVJikpybRs2dIMHz7c7NmzxxhjTEZGhhk8eLBp1qyZiY2NNfv377c5acNTUlJivLy8zKpVq6qdz8vLM5LM7t27nZzMWvPnzzfu7u5m8eLFFz1u69atpk2bNmbmzJlm+/btJikpyUyYMMF06dLFSDJ+fn5mxIgRJiEhwaxfv96cPHnSSe/Asfz8fNOhQwfz6KOP2h3FKmIwGNUPmerkGRMaakyegz8nhp55pGSMYs85RsYk5v3yNImh5/+5ocvJyTFLliypKh0NTV5enomMjDRt2rQxSUlJ1R6zfv16M2jQIOPh4WFiY2PNgQMHnJyy4fr0009N69atTWlpabXzL730kunfv7+TU9WNN954w3h4eJiVK1de9Lg1a9YYf39/07RpU9O7d28TGxtr3n33XbN9+3YnJa25bdu2mTZt2pj4+Hi7o1jB9g8xBsNVh0x1LlKw8hLNL6XKnClRsammqmD9eq4xFKyTJ0+a6dOnG3d3d3PLLbcYDw8PM3HixAazilNWVmYSEhKMh4eHGTdunDl06NAlH5OWlmYGDBhgvLy8zKRJk8zBgwedkLRhe+CBB8z48eMdzoeHh5tnn33WiYnq1qxZs4y3t7fJzs52eMz69euNh4eH+fHHH52Y7MplZmYaLy8v89e//tXuKFfK9g8xBsNVh0x1LrGCdd6hicaEJv5yTGLsL6WqMRSs9PR0c+ONN5ouXbqYtLQ0Y8yZH/q33XZb1emygoICm1PWXm5urunfv7/x8/MzS5YsqfHj09LSTP/+/U2LFi3MtGnTzJEjR6wP2QiUl5cbHx8fs2jRomrnDx48aK666iqzZcsWJyerW48//rgJDw93OP/kk0+aYcOGOTGRdT777DPTrFkzs/jfFz8V6uJs/xBjMFx1yFTn7GrUucNBwYqVMalnHxNqTF6eMaE/r2I15IJ14sQJM23aNNO0aVMTGxtrjh8/fsExaWlpJjg42Hh6eppJkybVq9+yS0pKzLRp04y7u7uJjY01RUVFtX6uyspK89lnn5nAwEDTtm1bEx8fb44ePWph2oZv3bp1xsPDwxw7dqza+X/961+mc+fOTk5V9yoqKsxPP/3kcL5Hjx7mzTffdGIia/1f1v+Zq3OuNilHU+yOUlu2f4gxGK46HH+NJVTKO1uv8qTQag6Jc5N650nDzv3LbtIMSa/mW3otvkv5/PPP1atXL6WmpiojI0NJSUnV7qUWFRWlDRs2KDk5WRkZGerWrZumT5+uI0eO2JD68q1fv179+vXT4sWLtXz5ciUlJcnb27vWz+fm5qaRI0cqJydHb775phYsWKBRo7boxRelkhILgzdgycnJioqKUsuWLR3Ojx492rmhnKBJkyZq06ZNtXNff/218vLyXHa/xcvx21t+q5eue0m/2f0brS9eb3ccABaq3feE86Wwn8vV5G4XTg+bKi186QqTuaAjR44oLi5O0dHRuueee5Sdna3g4OBLPi4qKkqbNm3S/PnztXLlSnXq1EnTp09XUVGRE1JfvqKiIk2ePFlRUVEaOnSotm7dqsGDB1v2/E2aNNG4ceO0ffs3uv/+QXrzTemGG6TXXpNOn7bsZRqkpUuXKjo6utq5kpISrV692uF8Q/Xpp59q4MCBuvbaa+2OckUm+kzUn675k0bmj1RuSa7dcQBYxVTnYtdg/Xz6MPUSj0mNNUa68BThnj3GPP20MYcPV/vKLmvhwoXGx8fHhISEmK+//rrWz1NRUWEWLlxoevbsadq1a2fi4+Ov6PSbVZYtW2b8/f1NQECA2bRpk1Nes7TUmHffNaZLF2Ouu86YxERjXOCb9C5n27ZtpkmTJg6/kbl48WLTrl07U1ZW5uRk9howYIB54YUX7I5hmcl7JxvfLb7m25Pf2h2lJmw/DcNguOqQqc5FCtbZ4nTuOPci9/MeowsLVna2MTffbEyrVsbMmmWMq1+KU1BQYMaMGWM8PT1NQkKCKS8vt+R5zxat7t27m/bt25uEhARTUlJiyXPXxMGDB82ECRNM8+bNTXx8vDl9+rTTM5w+bUxSkjEdOxpz/fVn/ncj6woX9dxzz5nQ0FCH8xMmTDAxMTFOTGS//fv3Gzc3N7Njxw67o1imwlSY3+36nen6VVdTUFpvvhhj+4cYg+GqQ8YGlZXGfPaZMYGBxrRta0x8vOsVrbM31PT29jZDhw4133//fZ28TmlpqXn33XfNDTfcYHx9fU1CQoLTboi4cOFC0759exMWFuYSH1SnTp0pVx06GNO5M0XrrKCgIPPiiy9WO1deXm7at29vPvnkE+eGstncuXNN9+7d7Y5hudLKUjMsb5jp83Ufc7isXizz2/4hxmC46pCxUUWFMQsXGtOjhzHt2hmTkGDMiRN2JjojPz/fDB482LRu3dokJSWZysrKOn/N0tJSk5SUZK699lrj7+9vEhMTzalTp+rktfbv32+io6ONl5eXSUhIMBUVFXXyOrVVXHzmdKGvrzE33njmNKJFC4f1zg8//GDc3NzMzp07q51fvXq1ufrqq01xcbGTk9nrjjvuMNOmTbM7Rp04UXHChO8MNwN3DDTFFS7/72r7hxiD4apDxgWcLVrduhnj43OmaNlwtsyUlZWZxMRE4+XlZUaMGGF++OEHp2c4ffq0SUpKMn5+fqZTp04mKSnJsmtrzt3mZtiwYS5/x/mjR8+cRm7V6sxp5ar7TV5s14Da7ELgwv72t7+ZXr16OZyfNGmSiY6Odl4gF3D06FHTrFkzk5mZaXeUOnO0/KgJ/DrQRH0XZU5V1s0vWhax/UOMwXDVIeNCzl703LWr8y963rp1qxkwYIDp0KHDJfdAc4YTJ06YxMREc80115guXbqYpKSkK7r+63K2uXFVhw+f+WJEVR+82K4BtdmFwIVFRUWZP//5zw7nu3TpYubNm+fERPabP3++ueaaa1xu5dVq+0v3my5fdTH37L7HVBiXfa+2f4gxGK46XGo7d3d36X/+R/rmG2nqVCkhQerVS5o3Tyorq6iT1zx16pRmzZql4OBg3Xjjjfr66681duzYOnmtmvD09NTkyZOVn5+vuLg4TZ8+XQEBAXrvvfdUWVl52c9TXl6uF198UX369JGPj4++/fZbxcbG1mFy67VtKz3/vHT99ef8ZaiUqJrdb63bZMkk/fLnu34rbf/OopB1oKioSP/+978d3n4hNzdXe/furdf3gaqN5ORkRUdHq0kTl/rxZbmO7h2V1j1NXxz/Qo/vfdzuOABqyriwEyeMmTPHmEGDCk3nzp0tPV1mzJltbnr16nXeNjeu6tixYyYhIcG0bt3a9OnTxyxcuPCS14bl5uaaoKCgWm9z47IutmtAbXYhcFEffPCB6dixo8N/5/j4eHPrrbc6OZW9SktLTevWrU1KSr2983mN5ZzIMa1yW5klR1zy/8O2rxIwGK46XPpXQE9P6U9/klJSrtaUKVP0zDPP6Oabb9Z7772niorar2iVlJRo+vTpioyMVEREhLZt26aoqCgLk1uvZcuWmjZtmnbt2qWxY8fq4YcfVt++fbVo0aILjj158qSmT5+u4OBgBQUFaefOnRozZowNqeuYo10DarsLgYtJTk7WqFGj5ObmVu38p59+2uhuLrp69WqVl5dbegNcV9fPs5829dqk0a1H2x0FQA24dME6y8vLS5MnT9auXbsUExOjyZMnKzAwUIsWLZIxpkbPdXabm5SUlItuc+Oq2rZtq1mzZmnXrl0aNmyY7r//foWEhGjp0qWSrN/mxtXVeNeAS+xC4CpOnz6t5cuXOyxQhYWF2rFjh0aNGuXkZPZKTk7WsGHD1Lx5c7ujOFV3j+5yU/VFG4BrqhcF66wWLVpo2rRp2rt3ryZMmKDf//73l120fr3NzebNmy9rmxtX1b59eyUkJCg/P19BQUEaN26cQkJCdPvtt2vMmDHavn174/gt/+dVrCmZl3FsvhTWXZphXLtcSWdWaiTptttuq3bex8dH//3vf9Wtm4u/EQsZY7Rs2bJGt2p3nqI4uW12+2V8+6qqFnBPv6qwzXH63M58AKrUq4J11rmny4YPH66YmJjzVnF+bdGiRerZs6e++uorbdmyRQkJCWrWrJmTU9eNjh076vXXX9d3332np556Shs2bNALL7zQqH7DHza1+tOAv/b5S1KmpOFuktvPI+zVuk5XO82bN5e/v/9FNwZ3tPFzQ7Vx40YdPHhQw4cPtzuKLfIPhcktX0oNMjI/j9TmU9T93JIFwGW4mZqeY3NBhYWFevnll/Xaa6+pX79+eu6553T77bfrwIEDmjhxolasWKGZM2fqySef1FVXXWV3XOCSSktLFR0drf3792vdunVq06aN3ZFs97//+7/atGmT0tLS7I5ig88Vt/l59e6Tocke5/59vl79tru+6WCU1PxVhW3/RjOCkpx5bSHnLQEH6uUK1q/5+PgoISFB3333nQICAjR8+HCFhIToxhtvVElJib755htNmzaNcoV6o1mzZvr444/l7e2t4cOH68SJE3ZHsl1jvKi/StGn+keL3+ouj19PdNPknkZJrewIBeBiGsQK1q99//33WrFihby9vXXPPffYHQeotaNHjyoyMlK+vr5atmxZgzm1XVP5+fnq0aOH9uzZI39/f7vjOF9RnNyOjpbpdJG1qdOsYAGupEGsYP1a586dFRcXR7lCvde6dWulpKQoLy9PDzzwQI1uMtuQLFmyRP3792+c5UqSmvdW6KnvuNYKqEcaZMECGpJrr71WaWlpWrNmjR5/vHHe0fvs3dsbLY8e6lO8UCmnfz2Rr1e/dVNckR2hAFwMBQuoB7p166YVK1Zo/vz5eu655+yO41SHDh3Shg0bNHr0aLuj2GiYpvpLU7affxuGz/d01xQlairXYAEup6ndAQBcnoCAAKWkpGjIkCHy9vbWlClT7I7kFMnJyfL399fNN99sdxRbdfPNkPE4cx+sKi0SlddzshrP3dCA+qNBXuQONGRLly7V2LFj9c9//lP333+/3XHq3IgRI9SzZ0+9/PLLdkfBhbjIHXCAU4RAPTNy5EjNmzdPcXFxSk1NtTtOnSouLtbq1asb9/VXAOolThEC9dD48eN19OhRjRs3TsuXL1dERITdkerE8uXL5eXlpdDQy7lXPwC4DgoWUE899thjOnDggEaOHKm1a9eqb9++dkeyXHJyskaNGqWmTflRBaB+4acWUI/Nnj1bxcXFGjp0qNavX68ePXrYHcky5eXlSk1N1bx58+yOAgA1xkXuQD1XWVmpe++9V9nZ2Vq/fr38/PzsjuRQWVmZcnNzlZWVpaysLO3atUubNm2q9tjVq1dr5MiRKiwslJeXl5OT4jJxkTvgAAULaADKyso0atQol9scurCwUFlZWcrMzFRmZqays7NVVlamvn37KiQkRCEhIfrd736nJk0u/L7NpEmTtG/fPn3yySc2JMdlomABDlCwgAaipKREd9xxhyoqKrRq1Sqnr/pUVFRo586d2rx5szIyMpSenq4dO3aoZcuWCg4OVlhYmIKCgnTrrbeqVatL3xmza9eumjlzpmJiYuo+PGqLggU4QMECGhBnbg59/Phxbd26tapMZWZm6qefflLXrl0VFham8PBwhYWFqXfv3nJzq9nncE5OjoKDg/Xjjz+qffv2dfQOYAEKFuAABQtoYAoKChQWFqbQ0FC9//771Z5+q+3zni1TGRkZys3NlaenpwIDA6vKVGhoqNq1a3fFrxUfH69169Zp7dq1Vx4cdYmCBThAwQIaoPz8fEVEROjuu+/W3Llza/z4kpIS5eTkVJ3uW7t2rQoLC+Xn51dVpsLDw9WvXz/LCty5AgMDFRMToyeeeMLy54alKFiAA9ymAWiAzm4OHRkZqWuuuUYzZ8686PHGGH300UdV3+7bsmWL3N3dNWDAAIWEhGj8+PEKCQmRj49PneYuKCjQ0qVL9dVXX2nUqFF1+loAUJdYwQIasKysLEVFRWn27NmX3Bw6JCREnTp1qvp2X79+/eTu7l5n2crLy7V169aqUpeRkaE9e/aoQ4cOmj17th588ME6e21YhhUswAEKFtDAucrm0MeOHdPGjRuVnp6uzZs3Kz09XcePH1fPnj0VFBR0RRfFwzb8QwEOULCARuCDDz7Qww8/rCVLlmj48OFOec3du3dXXRCfnp6unTt3ysvLSwMHDqy6ZUNERIRat27tlDyoExQswAEKFtBIvP7663rqqae0YsUKyzeHLi4u1pYtW6rKVFZWlg4fPlx1y4azK1R1dVE8bEPBAhygYAGNyNNPP625c+de8ebQ596yYfPmzdq4caOaNWumvn37VpWp2267jXtYNXwULMABChbQyEyePFkfffTRZW8OXVZWpm3btlWd7lu3bp0OHTp03i0bgoKCFBwcXKc3NoVLomABDlCwgEbm7ObQmzZtUnp6+gWbQx84cEDZ2dnnrVBVVFQoICCgqkwNGjRInTp1sukdwIVQsAAHKFhAI3Tu5tCJiYn66quvqjZl3rdvnzp27KjQ0FCFhoYqJCRE/fv3Z3UK1aFgAQ5QsIBGqri4WDExMUpNTVWXLl3OO91300032R0P9QMFC3CAggU0cqWlpaxOobYoWIADFCwAQG1RsAAHuCENAACAxShYAAAAFqNgAQAAWIyCBQAAYDEKFgAAgMUoWAAAABajYAEAAFiMggUAAGAxChYAAIDFKFgAAAAWo2ABAABYjIIFAABgMQoWAACAxShYAAAAFqNgAQAAWIyCBQAAYDEKFgAAgMUoWAAAABajYAEAAFiMggUAAGAxChYAAIDFKFgAAAAWo2ABAABYjIIFAABgMQoWAACAxShYAAAAFqNgAQAAWIyCBQAAYDEKFgAAgMUoWAAAABajYAEAAFiMggUAAGAxChYAAIDFKFgAAAAWo2ABAABYjIIFAABgMQoWAACAxShYAAAAFqNgAQAAWIyCBQAAYDEKFgAAgMUoWAAAABajYAEAAFiMggUAAGAxChYAAIDFKFgAAAAWo2ABAABYjIIFAABgMQoWAACAxShYAAAAFqNgAQAAWIyCBQAAYDEKFgAAgMUoWAAAABajYAEAAFiMggUAAGAxChYAAIDFKFgAAAAWo2ABAABYjIIFAABgMQoWAACAxf4fFOvhEw7mY3gAAAAASUVORK5CYII=\n",
      "text/plain": [
       "<PIL.Image.Image image mode=RGBA size=600x200 at 0x8EB4208>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "display(Draw.MolsToGridImage([amine, acyl]))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<PIL.Image.Image image mode=RGBA size=600x200 at 0x9329BA8>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<PIL.Image.Image image mode=RGBA size=600x200 at 0x9329BA8>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "['NCCCCNCc1ccccc1']\n"
     ]
    }
   ],
   "source": [
    "# First reaction\n",
    "reactant_1_ListMols = [amine]\n",
    "reactant_2_ListMols = [acyl]\n",
    "# reactant_1_ListMols\n",
    "display(Draw.MolsToGridImage(reactant_1_ListMols))\n",
    "# reactant_2_ListMols\n",
    "display(Draw.MolsToGridImage(reactant_2_ListMols))\n",
    "#\n",
    "prods = AllChem.EnumerateLibraryFromReaction(rxn,[reactant_1_ListMols, reactant_2_ListMols])\n",
    "#prods = list(prods)\n",
    "smis = list(set([Chem.MolToSmiles(x[0], isomericSmiles=True) for x in prods]))\n",
    "print smis\n",
    "# ['NCCCCNCc1ccccc1']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<PIL.Image.Image image mode=RGBA size=600x200 at 0x8CF9320>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "['NCCCCN(Cc1ccccc1)Cc1ccccc1', 'c1ccc(CNCCCCNCc2ccccc2)cc1']\n"
     ]
    },
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<PIL.Image.Image image mode=RGBA size=600x200 at 0x9329B00>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "['c1ccc(CNCCCCN(Cc2ccccc2)Cc2ccccc2)cc1', 'NCCCCN(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1']\n"
     ]
    },
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<PIL.Image.Image image mode=RGBA size=600x200 at 0x68F9898>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "['c1ccc(CN(CCCCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1', 'c1ccc(CNCCCCN(Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1']\n"
     ]
    },
    {
     "data": {
      "image/png": "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\n",
      "text/plain": [
       "<PIL.Image.Image image mode=RGBA size=600x200 at 0x9329BE0>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "['c1ccc(CN(CCCCN(Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1']\n"
     ]
    }
   ],
   "source": [
    "# Now repeat until doom\n",
    "while True:\n",
    "    reactant_1_ListMols = [m for m in [Chem.MolFromSmiles(x) for x in smis] if m is not None]\n",
    "    if len(reactant_1_ListMols) == 0:\n",
    "        break\n",
    "    # end if\n",
    "    # reactant_1_ListMols\n",
    "    display(Draw.MolsToGridImage(reactant_1_ListMols))\n",
    "    # reactant_2_ListMols\n",
    "    #display(Draw.MolsToGridImage(reactant_2_ListMols))\n",
    "    #\n",
    "    prods = AllChem.EnumerateLibraryFromReaction(rxn,[reactant_1_ListMols, reactant_2_ListMols])\n",
    "    #prods = list(prods)\n",
    "    smis = list(set([Chem.MolToSmiles(x[0], isomericSmiles=True) for x in prods]))\n",
    "    print smis\n",
    "# end for"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
 "metadata": {
  "anaconda-cloud": {},
  "kernelspec": {
   "display_name": "Python [default]",
   "language": "python",
   "name": "python2"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 2
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython2",
   "version": "2.7.14"
  }
 },
 "nbformat": 4,
 "nbformat_minor": 2
}