Hydrochloric Acid → [3-[3,5-Dimethyl-4-(6-trifluoromethyl benzothiazole-2-yl)piperazine-1-ylmethyl]phenyl]acetic acid
Reaction equation
[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([CH2:11][N:12]2[CH2:13][CH:14]([CH3:32])[N:15]([c:19]3[s:20][c:21]4[c:22]([n:23]3)[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]4)[CH:16]([CH3:18])[CH2:17]2)[cH:8][cH:9][cH:10]1)=[O:33].[CH3:37][OH:38].[ClH:36].[Na+:35].[OH-:34]>>[O:2]=[C:3]([CH2:4][c:5]1[cH:6][c:7]([CH2:11][N:12]2[CH2:13][CH:14]([CH3:32])[N:15]([c:19]3[s:20][c:21]4[c:22]([n:23]3)[cH:24][cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]4)[CH:16]([CH3:18])[CH2:17]2)[cH:8][cH:9][cH:10]1)[OH:33]Participants
6
Sources & evidence
- ORD record
- ord-bda4d695d6df4bb693ae25081da0d8db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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