Acetic Acid → 1-(2,4-Dimethoxyphenyl)-N-{[1-(4-iodophenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}methanamine
Reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[C:51](=[O:52])([OH:53])[O-:54].[CH3:21][O:22][c:23]1[c:24]([CH2:25][NH2:26])[cH:27][cH:28][c:29]([O:31][CH3:32])[cH:30]1.[CH3:47][C:48](=[O:49])[OH:50].[Cl:56][CH:57]([Cl:58])[CH3:59].[I:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[c:11]([CH:13]=[O:14])[cH:12]2)[cH:6][cH:7]1.[Na+:46].[Na+:55]>>[I:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10](-[c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[c:11]([CH2:13][NH:26][CH2:25][c:24]3[c:23]([O:22][CH3:21])[cH:30][c:29]([O:31][CH3:32])[cH:28][cH:27]3)[cH:12]2)[cH:6][cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-0f2c94b3fcfd4219afcddb354003ddb8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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