An example deprotection in RDKit

deprotection.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Imports"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "from rdkit import Chem\n",
    "from rdkit.Chem import rdDeprotect\n",
    "from rdkit.Chem.Draw import IPythonConsole"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Test molecule"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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",
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f00c33552a0>"
      ]
     },
     "execution_count": 2,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "mol = Chem.MolFromSmiles(\"Cc1cc(B(O)O)ccc1OC(C)C\")\n",
    "mol"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Deprotection to remove boronates\n",
    "\n",
    "Removes acyclic boronic acids and esters from aromatic carbons."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [],
   "source": [
    "deprotection_1 = rdDeprotect.DeprotectData(\n",
    "    deprotection_class=\"boron\",\n",
    "    reaction_smarts=\"[c:1][B;R0](O)O>>[*:1]\",\n",
    "    abbreviation=\"BOO\",\n",
    "    full_name=\"deboron\",\n",
    ")\n",
    "assert deprotection_1.isValid()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Custom set of deprotections\n",
    "\n",
    "We can make a new `DeprotectDataVect` and add the above deprotection."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "deprotections = rdDeprotect.DeprotectDataVect()\n",
    "deprotections.append(deprotection_1)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Apply the custom deprotections\n",
    "\n",
    "Then apply the deprotections to the test mol."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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",
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       "<table><tr><td colspan=\"2\" style=\"text-align: center;\"><image 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\"></td></tr>\n",
       "<tr><th style=\"text-align: right\">DEPROTECTIONS</th><td style=\"text-align: left\">&lt;rdkit.rdBase._vectNSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEE object at 0x7f00c3382bc0&gt;</td></tr>\n",
       "<tr><th style=\"text-align: right\">DEPROTECTION_COUNT</th><td style=\"text-align: left\">1</td></tr></table>"
      ],
      "text/plain": [
       "<rdkit.Chem.rdchem.Mol at 0x7f00c3354f90>"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "rdDeprotect.Deprotect(mol, deprotections)"
   ]
  }
 ],
 "metadata": {
  "kernelspec": {
   "display_name": "rdkit-test",
   "language": "python",
   "name": "python3"
  },
  "language_info": {
   "codemirror_mode": {
    "name": "ipython",
    "version": 3
   },
   "file_extension": ".py",
   "mimetype": "text/x-python",
   "name": "python",
   "nbconvert_exporter": "python",
   "pygments_lexer": "ipython3",
   "version": "3.11.4"
  },
  "orig_nbformat": 4
 },
 "nbformat": 4,
 "nbformat_minor": 2
}