Hydrochloric Acid → (4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-(2-diethylamino-5-methanesulfonyl-phenyl)-methanone
Reaction equation
[CH2:1]([CH3:2])[N:3]([c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]([S:13](=[O:14])(=[O:15])[CH3:16])[cH:11][cH:12]1)[CH2:17][CH3:18].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][C:42]#[N:43].[ClH:19].[N:20]1([c:26]2[n:27][s:28][c:29]3[c:30]2[cH:31][cH:32][cH:33][cH:34]3)[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1>>[CH2:1]([CH3:2])[N:3]([c:4]1[c:5]([C:6](=[O:8])[N:23]2[CH2:22][CH2:21][N:20]([c:26]3[n:27][s:28][c:29]4[c:30]3[cH:31][cH:32][cH:33][cH:34]4)[CH2:25][CH2:24]2)[cH:9][c:10]([S:13](=[O:14])(=[O:15])[CH3:16])[cH:11][cH:12]1)[CH2:17][CH3:18]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-749170cb803d451cb1707537bb7a6003
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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