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Methanol → N-(6-mercaptoisoquinolin-1-yl)benzamide

HRID 2157581
Notes
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Reaction equation

HRID 2157581 reaction equation
[C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)(=[O:10])[NH:11][c:12]1[n:13][cH:14][cH:15][c:16]2[cH:17][c:18]([S:22][C:23](=[O:24])[N:25]([CH3:26])[CH3:27])[cH:19][cH:20][c:21]12.[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[CH3:36][OH:37].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[Na+:2].[OH-:1].[OH2:34].[OH2:35]>>[C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)(=[O:10])[NH:11][c:12]1[n:13][cH:14][cH:15][c:16]2[cH:17][c:18]([SH:22])[cH:19][cH:20][c:21]12
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 8900Heptane
HCID 86612976
dimethylthiocarbamic acid S-(1-benzoylaminoisoquinolin-6-yl)ester

Product 1

HCID 136378996N-(6-mercaptoisoquinolin-1-yl)benzamide

Sources & evidence

ORD record
ord-df3ceb446072413ab97bca586b7fbd33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes