Benzoyl chloride, 3,4-dichloro- → 2-(2-Hydroxyethyl)-5-[4-(3,4-dichlorobenzoylamino)benzene-sulfonyl]-1,5-benzothiazepine

HRID 190583Notes

Reaction equation

HRID 190583 reaction equation
[Cl:25][c:26]1[cH:27][c:28]([C:29](=[O:30])[Cl:31])[cH:32][cH:33][c:34]1[Cl:35].[OH:1][CH2:2][CH2:3][CH:4]1[S:5][c:6]2[c:7]([cH:21][cH:22][cH:23][cH:24]2)[N:8]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]2)[CH:9]=[CH:10]1.[c:36]1(-[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[C:43]([Cl:44])=[O:45])[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[OH:1][CH2:2][CH2:3][CH:4]1[S:5][c:6]2[c:7]([cH:21][cH:22][cH:23][cH:24]2)[N:8]([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([NH:20][C:29]([c:28]3[cH:27][c:26]([Cl:25])[c:34]([Cl:35])[cH:33][cH:32]3)=[O:30])[cH:18][cH:19]2)[CH:9]=[CH:10]1

Participants

4

Reactant 3

HCID 76403Benzoyl chloride, 3,4-dichloro-HCID 12563768[1,1'-Biphenyl]-2-carbonyl chlorideHCID 183874372-(2-Hydroxyethyl)-5-(4-aminobenzenesulfonyl)-1,5-benzothiazepine

Product 1

HCID 183874702-(2-Hydroxyethyl)-5-[4-(3,4-dichlorobenzoylamino)benzene-sulfonyl]-1,5-benzothiazepine

Sources & evidence

ORD record
ord-4237cde8a55d4d299e87c87e4207d3bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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