2-Methylbenzoyl chloride → 2-(2-Hydroxyethyl)-5-[4-(2-methylbenzoylamino)benzene-sulfonyl]-1,5-benzothiazepine

HRID 148160Notes

Reaction equation

HRID 148160 reaction equation
[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:25]1([CH3:34])[c:26]([C:31](=[O:32])[Cl:33])[cH:27][cH:28][cH:29][cH:30]1.[c:35]1(-[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[C:42]([Cl:43])=[O:44])[cH:45][cH:46][cH:47][cH:48][cH:49]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:31]([c:26]3[c:25]([CH3:34])[cH:30][cH:29][cH:28][cH:27]3)=[O:32])[cH:18][cH:19]2)[CH:9]=[CH:10]1

Participants

4

Reactant 3

HCID 702762-Methylbenzoyl chlorideHCID 12563768[1,1'-Biphenyl]-2-carbonyl chlorideHCID 183874372-(2-Hydroxyethyl)-5-(4-aminobenzenesulfonyl)-1,5-benzothiazepine

Product 1

HCID 183874302-(2-Hydroxyethyl)-5-[4-(2-methylbenzoylamino)benzene-sulfonyl]-1,5-benzothiazepine

Sources & evidence

ORD record
ord-0a714de75b1c45f28a0302fb813332b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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