Chloride → 4-(2-Chloro-4-aminobenzoyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine

Reaction equation

[CH3:31][CH2:32][OH:33].[Cl-:25].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[N:6]2[c:7]3[c:8]([s:13][cH:14][cH:15]3)[CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:16][cH:17][c:18]([N+:20]([O-:21])=[O:22])[cH:19]1.[Na+:30].[O-:26][C:27]([OH:28])=[O:29].[OH2:23].[OH2:24]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[N:6]2[c:7]3[c:8]([s:13][cH:14][cH:15]3)[CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:16][cH:17][c:18]([NH2:20])[cH:19]1

Participants

Reactant 6

HCID 312Chloride

HCID 702Ethanol

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 962Water2×

HCID 196990734-(2-Chloro-4-nitrobenzoyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine

Product 1

HCID 214671284-(2-Chloro-4-aminobenzoyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine

Sources & evidence

ORD record: ord-6908553be88741d4aa19375c73f3e8e0
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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