Hydrochloric Acid → 4-{5-(4-cyanophenyl)-2-methylbenzyl}-5-methoxy-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH3:18])[c:6]([CH2:7][n:8]2[c:9](=[O:16])[n:10]([CH3:15])[n:11][c:12]2[O:13][CH3:14])[cH:17]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:19][c:20]1[cH:21][cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27]1.[Cl:54][Ni:55][Cl:56].[ClH:47].[Zn:57].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1.[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[c:2]1(-[c:20]2[cH:21][cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27]2)[cH:3][cH:4][c:5]([CH3:18])[c:6]([CH2:7][n:8]2[c:9](=[O:16])[n:10]([CH3:15])[n:11][c:12]2[O:13][CH3:14])[cH:17]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-2c8e506d69fd419a9efd3946c089f9c8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…