Hydrochloric Acid → (4-Bromo-2-methanesulfonylphenyl)[4-(2-ethyl-4-methylphenyl)piperazin-1-yl]methanone
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([S:11](=[O:12])(=[O:13])[CH3:14])[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[CH2:16]([CH3:17])[c:18]1[c:19]([N:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[cH:20][cH:21][c:22]([CH3:24])[cH:23]1.[CH3:35][N:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[CH3:42][OH:43].[CH:31]([Cl:32])([Cl:33])[Cl:34].[ClH:15]>>[Br:1][c:2]1[cH:3][c:4]([S:11](=[O:12])(=[O:13])[CH3:14])[c:5]([C:6](=[O:8])[N:28]2[CH2:27][CH2:26][N:25]([c:19]3[c:18]([CH2:16][CH3:17])[cH:23][c:22]([CH3:24])[cH:21][cH:20]3)[CH2:30][CH2:29]2)[cH:9][cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-b22d9b364a964b4e87364b8510fe6969
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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