2-Aminopropanol → N-(2-chloro-4-(1-hydroxypropan-2-ylcarbamoyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

Reaction equation

[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]1[N:11]([C:12](=[O:13])[c:14]1[cH:15][c:16]2[c:17]([s:27]1)-[c:18]1[c:19]([cH:23][cH:24][cH:25][cH:26]1)[O:20][CH2:21][CH2:22]2)[CH3:28].[NH2:29][CH:30]([CH2:31][OH:32])[CH3:33]>>[Cl:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:29][CH:30]([CH2:31][OH:32])[CH3:33])[cH:8][cH:9][c:10]1[N:11]([C:12](=[O:13])[c:14]1[cH:15][c:16]2[c:17]([s:27]1)-[c:18]1[c:19]([cH:23][cH:24][cH:25][cH:26]1)[O:20][CH2:21][CH2:22]2)[CH3:28]

Participants

Reactant 2

HCID 51262-Aminopropanol

HCID 668689233-Chloro-4-(N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)benzoic acid

Product 1

HCID 57900356N-(2-chloro-4-(1-hydroxypropan-2-ylcarbamoyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

Sources & evidence

ORD record: ord-8eab3118ac354f71815597d2b350ff2c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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