Ethanol → 6-amino-4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
Reaction equation
[CH3:30][CH2:31][OH:32].[NH2:1][C:2]1([C:25]([O:26][CH2:27][CH3:28])=[O:29])[c:3]2[n:4]([c:21]([CH3:24])[n:22][n:23]2)-[c:5]2[c:6]([cH:16][c:17]([CH2:19][CH3:20])[s:18]2)[C:7]([c:9]2[c:10]([Cl:15])[cH:11][cH:12][cH:13][cH:14]2)=[N:8]1.[OH2:33]>>[NH2:1][CH:2]1[c:3]2[n:4]([c:21]([CH3:24])[n:22][n:23]2)-[c:5]2[c:6]([cH:16][c:17]([CH2:19][CH3:20])[s:18]2)[C:7]([c:9]2[c:10]([Cl:15])[cH:11][cH:12][cH:13][cH:14]2)=[N:8]1Participants
4
Sources & evidence
- ORD record
- ord-8a04aeb94dc54d75ac256da5bf2b1d9d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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