Acetic Acid → 1-[4-[4-Chloro-2-[(dimethylamino)methyl]-5-methoxyphenyl]piperazin-1-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Reaction equation
[C:32]([OH:33])(=[O:34])[CH3:35].[C:39]([BH3-:40])#[N:41].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:36][NH:37][CH3:38].[CH3:43][OH:44].[Cl:1][c:2]1[c:3]([O:30][CH3:31])[cH:4][c:5]([N:10]2[CH2:11][CH2:12][N:13]([C:16]([CH2:17][n:18]3[n:19][c:20]([C:25]([F:26])([F:27])[F:28])[c:21]([Cl:24])[c:22]3[CH3:23])=[O:29])[CH2:14][CH2:15]2)[c:6]([CH:7]=[O:8])[cH:9]1.[Na+:42]>>[Cl:1][c:2]1[c:3]([O:30][CH3:31])[cH:4][c:5]([N:10]2[CH2:11][CH2:12][N:13]([C:16]([CH2:17][n:18]3[n:19][c:20]([C:25]([F:26])([F:27])[F:28])[c:21]([Cl:24])[c:22]3[CH3:23])=[O:29])[CH2:14][CH2:15]2)[c:6]([CH2:7][N:37]([CH3:36])[CH3:38])[cH:9]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-4cd6bb0a71ea4c77b677a201eaa333b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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