Acetate → 5-(2-Chlorophenyl)-1,3-dihydro-7-iodo-2H-thieno[2,3-e][1,4]diazepin-2-one
Reaction equation
[CH3:22][C:23](=[O:24])[O-:25].[CH3:33][OH:34].[CH3:35][C:36](=[O:37])[OH:38].[Cl:1][c:2]1[c:3]([C:8]2=[N:14][CH2:13][C:12](=[O:15])[NH:11][c:10]3[c:9]2[cH:18][cH:17][s:16]3)[cH:4][cH:5][cH:6][cH:7]1.[I:19][Cl:20].[NH3:31].[Na+:21].[Na+:30].[OH2:32].[S:26](=[O:27])([OH:28])[O-:29]>>[Cl:1][c:2]1[c:3]([C:8]2=[N:14][CH2:13][C:12](=[O:15])[NH:11][c:10]3[c:9]2[cH:18][c:17]([I:19])[s:16]3)[cH:4][cH:5][cH:6][cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-299e096a095641d4b9345dd9dd949c2e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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