Hydrochloric Acid → (2-Isopropoxy-5-methanesulfonyl-phenyl)-[4-(4-nitro-benzothiazol-2-yl)-piperazin-1-yl]-methanone
Reaction equation
[CH:1]([CH3:2])([CH3:3])[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.[ClH:18].[N+:19](=[O:20])([O-:21])[c:22]1[cH:23][cH:24][cH:25][c:26]2[c:27]1[n:28][c:29]([N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1)[s:30]2.[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:9])[N:34]2[CH2:33][CH2:32][N:31]([c:29]3[n:28][c:27]4[c:22]([N+:19](=[O:20])[O-:21])[cH:23][cH:24][cH:25][c:26]4[s:30]3)[CH2:36][CH2:35]2)[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1Participants
5
Sources & evidence
- ORD record
- ord-2f098b680d8f49b3a5dd7e2146c082d9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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