Benzaldehyde → 1-Methyl-N3-phenylmethylene-N5-[3-[3-[(dimethylamino)methyl]phenoxy]propyl]-1H-1,2,4-triazole-3,5-diamine
Reaction equation
[CH3:1][n:2]1[n:3][c:4]([NH2:22])[n:5][c:6]1[NH:7][CH2:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][c:14]([CH2:18][N:19]([CH3:20])[CH3:21])[cH:15][cH:16][cH:17]1.[CH:23](=[O:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH3:1][n:2]1[n:3][c:4]([N:22]=[CH:23][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[n:5][c:6]1[NH:7][CH2:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][c:14]([CH2:18][N:19]([CH3:20])[CH3:21])[cH:15][cH:16][cH:17]1Participants
4
Sources & evidence
- ORD record
- ord-2cf2875afef94e2a8933a9e7271a2df1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)