Hydrochloric Acid → {4-[5-(Butane-1-sulfonyl)-thiazol-2-yl]-piperazin-1-yl}-[2-(2,2-dimethyl-propoxy)-5-methanesulfonyl-phenyl]-methanone
Reaction equation
[CH2:21]([CH2:22][CH2:23][CH3:24])[S:25](=[O:26])(=[O:27])[c:28]1[cH:29][n:30][c:31]([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[s:32]1.[CH3:1][C:2]([CH2:3][O:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1)([CH3:18])[CH3:19].[ClH:20]>>[CH3:1][C:2]([CH2:3][O:4][c:5]1[c:6]([C:7](=[O:9])[N:36]2[CH2:35][CH2:34][N:33]([c:31]3[n:30][cH:29][c:28]([S:25]([CH2:21][CH2:22][CH2:23][CH3:24])(=[O:26])=[O:27])[s:32]3)[CH2:38][CH2:37]2)[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1)([CH3:18])[CH3:19]Participants
4
Sources & evidence
- ORD record
- ord-5df8d7208ce548cda250e1a9f0b8343b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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