Hydrochloric Acid → 1-[4-Fluorobenzoyl]-4-[4-(7-trifluoromethyl-4-quinolinylamino)benzenesulphonyl]piperazine
Reaction equation
[CH2:50]([OH:51])[CH3:52].[CH:53]([Cl:54])([Cl:55])[Cl:56].[ClH:1].[ClH:27].[F:28][c:29]1[cH:30][cH:31][c:32]([C:33](=[O:34])[N:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[cH:41][cH:42]1.[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]2[c:8]([NH:14][c:15]3[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[Cl:24])[cH:19][cH:20]3)[cH:9][cH:10][n:11][c:12]2[cH:13]1)([F:25])[F:26].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH2:49].[OH2:57]>>[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]2[c:8]([NH:14][c:15]3[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[N:38]4[CH2:37][CH2:36][N:35]([C:33]([c:32]5[cH:31][cH:30][c:29]([F:28])[cH:42][cH:41]5)=[O:34])[CH2:40][CH2:39]4)[cH:19][cH:20]3)[cH:9][cH:10][n:11][c:12]2[cH:13]1)([F:25])[F:26]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-ce4c6de5734844849ad6b92262653865
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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