Bicarbonate Ion → (RS)-Clopidogrel

HRID 663555Notes

Reaction equation

[C:41](=[O:42])([OH:43])[O-:44].[CH3:19][O:20][C:21]([CH:22]([N:23]1[CH2:24][c:25]2[c:26]([s:30][cH:31][cH:32]2)[CH:27]([OH:29])[CH2:28]1)[c:33]1[c:34]([Cl:39])[cH:35][cH:36][cH:37][cH:38]1)=[O:40].[CH3:46][C:47]#[N:48].[Cl:3][Si:4]([CH3:5])([CH3:6])[CH3:7].[I-:2].[Na+:1].[Na+:45].[c:8]1([CH3:9])[cH:10][cH:11][c:12]([S:13]([OH:14])(=[O:15])=[O:16])[cH:17][cH:18]1>>[CH3:19][O:20][C:21]([CH:22]([N:23]1[CH2:24][c:25]2[c:26]([s:30][cH:31][cH:32]2)[CH2:27][CH2:28]1)[c:33]1[c:34]([Cl:39])[cH:35][cH:36][cH:37][cH:38]1)=[O:40]

Participants

Reactant 7

HCID 769Bicarbonate Ion

HCID 923Sodium ion2×

HCID 6101p-Toluenesulfonic acid

HCID 6342Acetonitrile

HCID 6397Chlorotrimethylsilane

HCID 30165Iodide Ion

HCID 13938216(+/-) Methyl alpha-(7-Hydroxy-4,5,6,7-tetrahydro-5-thieno[3,2-c]pyridyl)-o-chlorophenylacetate

Product 1

HCID 2806(RS)-Clopidogrel

Sources & evidence

ORD record: ord-57a6cfaf4fe14706bffa7f5ed96562c6
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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