Ammonia → 7-Chloro-3-fluoro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

HRID 671140Notes

Reaction equation

HRID 671140 reaction equation
[CH3:45][S:46]([CH3:47])=[O:48].[Cl:2][CH:3]([C:4](=[O:5])[NH:6][c:7]1[c:8]([C:9](=[O:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:17][c:18]([Cl:21])[cH:19][cH:20]1)[F:22].[Cl:39][CH:40]([F:41])[C:42]([Cl:43])=[O:44].[NH2:23][c:24]1[cH:25][cH:26][c:27]([Cl:28])[cH:29][c:30]1[C:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)=[O:38].[NH3:1]>>[CH:3]1([F:22])[C:4](=[O:5])[NH:6][c:7]2[c:8]([cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[C:9]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[N:23]1

Participants

6

Reactant 5

HCID 222AmmoniaHCID 679Dimethyl SulfoxideHCID 128702-Amino-5-chlorobenzophenoneHCID 30138612-Chloro-2-fluoroacetyl chlorideHCID 233326282-(alpha-Chloro-alpha-fluoro-acetamido)-5-chloro-benzophenone

Product 1

HCID 131259877-Chloro-3-fluoro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one

Sources & evidence

ORD record
ord-2eca55c76f9448cdb7c926fe6c7b2c54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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