Toluene → 2-[5-(2-Chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]-2-methylpropanal
Reaction equation
[CH2:23]([Al+:24][CH2:25][CH:26]([CH3:27])[CH3:28])[CH:29]([CH3:30])[CH3:31].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cl:1][c:2]1[c:3](-[c:8]2[n:9]([CH3:21])[c:10]([C:13]([C:14](=[O:15])[O:16][CH2:17][CH3:18])([CH3:19])[CH3:20])[n:11][n:12]2)[cH:4][cH:5][cH:6][cH:7]1.[H-:22]>>[Cl:1][c:2]1[c:3](-[c:8]2[n:9]([CH3:21])[c:10]([C:13]([CH:14]=[O:15])([CH3:19])[CH3:20])[n:11][n:12]2)[cH:4][cH:5][cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-a29feb224c20467f978e24a218b994a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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