Toluene → 5-Methyl-2-[3-[4-(2-methyl-tetrazol-5-yl)-2,6-dimethylphenoxy]-propyl]-1,2,4-triazole
Reaction equation
[CH2:47]([SnH:48]([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[N:35]#[C:36][C:37]([N:38]=[N:39][C:40]([C:41]#[N:42])([CH3:43])[CH3:44])([CH3:45])[CH3:46].[O:1]([C:2]([O:3][CH2:11][c:12]1[n:13][cH:14][n:15]([CH2:17][CH2:18][CH2:19][O:20][c:21]2[c:22]([CH3:34])[cH:23][c:24](-[c:28]3[n:29][n:30][n:31]([CH3:33])[n:32]3)[cH:25][c:26]2[CH3:27])[n:16]1)=[S:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[CH3:11][c:12]1[n:13][cH:14][n:15]([CH2:17][CH2:18][CH2:19][O:20][c:21]2[c:22]([CH3:34])[cH:23][c:24](-[c:28]3[n:29][n:30][n:31]([CH3:33])[n:32]3)[cH:25][c:26]2[CH3:27])[n:16]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-b8b41fcfebea4c658c74f3070584d02b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…