Acetic Acid → 1-[[1,5-Bis(4-chlorophenyl)-2-methyl-pyrrol-3-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Reaction equation
[CH2:38]=[O:39].[CH3:42][C:43]#[N:44].[CH3:45][C:46](=[O:47])[OH:48].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](-[c:14]3[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]3)[cH:10][cH:11][c:12]2[CH3:13])[cH:6][cH:7]1.[ClH:21].[F:22][C:23]([c:24]1[cH:25][c:26]([N:30]2[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[cH:27][cH:28][cH:29]1)([F:36])[F:37].[Na+:41].[OH-:40]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[c:9](-[c:14]3[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]3)[cH:10][c:11]([CH2:38][N:33]3[CH2:32][CH2:31][N:30]([c:26]4[cH:25][c:24]([C:23]([F:22])([F:36])[F:37])[cH:29][cH:28][cH:27]4)[CH2:35][CH2:34]3)[c:12]2[CH3:13])[cH:6][cH:7]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-f55bbdc96ba940dc8f5ef1e72de45399
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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