Acetic Acid → 1-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazole-1-yl)-pentene-3-ol
Reaction equation
[BH4-:5].[CH3:1][C:2](=[O:3])[OH:4].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Cl:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cl:7][c:8]1[cH:9][cH:10][c:11]([CH:14]=[C:15]([C:16]([C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[n:22]2[n:23][cH:24][n:25][cH:26]2)[cH:12][cH:13]1.[ClH:27].[Na+:6].[OH2:40]>>[Cl:7][c:8]1[cH:9][cH:10][c:11]([CH:14]=[C:15]([CH:16]([C:17]([CH3:18])([CH3:19])[CH3:20])[OH:21])[n:22]2[n:23][cH:24][n:25][cH:26]2)[cH:12][cH:13]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-7545f0b3d77c4eadb401b093ef914e51
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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