Hydrochloric Acid → [4-(6-Chloro-quinolin-2-yl)-piperazin-1-yl]-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone
Reaction equation
[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][C:43]#[N:44].[CH:19]([CH3:20])([CH3:21])[O:22][c:23]1[c:24]([C:25](=[O:26])[OH:27])[cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]1.[Cl:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[n:9][c:10]2[cH:11][cH:12]1.[ClH:1]>>[Cl:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([N:13]3[CH2:14][CH2:15][N:16]([C:25]([c:24]4[c:23]([O:22][CH:19]([CH3:20])[CH3:21])[cH:31][cH:30][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:28]4)=[O:26])[CH2:17][CH2:18]3)[n:9][c:10]2[cH:11][cH:12]1Participants
6
Sources & evidence
- ORD record
- ord-039cae09fa164129922f781bc278c65d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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