1,2-Dichloroethane → 9-chloro-5-(o-fluorophenyl)-1,3-dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzodiazepin-2-one

HRID 298780Notes

Reaction equation

HRID 298780 reaction equation
[CH:27]([OH:28])=[O:29].[Cl:25].[Cl:30][CH2:31][CH2:32][Cl:33].[ClH:26].[F:1][c:2]1[c:3]([C:8]2=[N:9][C:10]([CH3:23])([CH3:24])[C:11](=[O:22])[NH:12][c:13]3[c:14]2[cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]3)[cH:4][cH:5][cH:6][cH:7]1>>[F:1][c:2]1[c:3]([C:8]2=[N:9][C:10]([CH3:23])([CH3:24])[C:11](=[O:22])[NH:12][c:13]3[c:14]2[cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][c:18]3[Cl:26])[cH:4][cH:5][cH:6][cH:7]1

Participants

5

Reactant 4

HCID 111,2-DichloroethaneHCID 284Formic AcidHCID 313Hydrochloric Acid2×HCID 205061515-(o-fluorophenyl)-1,3-dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzodiazepin-2-one

Product 1

HCID 205061649-chloro-5-(o-fluorophenyl)-1,3-dihydro-3,3-dimethyl-7-nitro-2H-1,4-benzodiazepin-2-one

Sources & evidence

ORD record
ord-6c8bc312ecd14162b953ed8e38b2dd6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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