Hydrochloric Acid → [4-(6-Chloro-quinolin-2-yl)-piperazin-1-yl]-(2-isobutoxy-5-methanesulfonyl-phenyl)-methanone
Reaction equation
[CH2:19]([CH:20]([CH3:21])[CH3:22])[O:23][c:24]1[c:25]([C:26](=[O:27])[OH:28])[cH:29][c:30]([S:33](=[O:34])(=[O:35])[CH3:36])[cH:31][cH:32]1.[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:43][C:44]#[N:45].[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:26]([c:25]4[c:24]([O:23][CH2:19][CH:20]([CH3:21])[CH3:22])[cH:32][cH:31][c:30]([S:33](=[O:34])(=[O:35])[CH3:36])[cH:29]4)=[O:27])[CH2:17][CH2:18]3)[n:9][c:10]2[cH:11][cH:12]1Participants
6
Sources & evidence
- ORD record
- ord-14c6ae2d183647c891671b865d8f8570
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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