Acetic Acid → (+)-5-(o-chlorophenyl)--1,3-dihydro-1,3-dimethyl-7-nitro-2H-1,4-benzodiazepin-2-one

HRID 144684Notes

Reaction equation

HRID 144684 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[CH3:30][I:31].[CH3:32][C:33](=[O:34])[OH:35].[CH3:36][C:37](=[O:38])[CH3:39].[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH:10]([CH3:23])[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.[K+:28].[K+:29]>>[Cl:1][c:2]1[c:3]([C:8]2=[N:9][CH:10]([CH3:23])[C:11](=[O:22])[N:12]([CH3:24])[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

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 180AcetoneHCID 813Potassium Cation2×HCID 6328Methyl iodideHCID 19660Carbonate IonHCID 933645-(2-Chlorophenyl)-3-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one

Product 1

HCID 20443626(+)-5-(o-chlorophenyl)--1,3-dihydro-1,3-dimethyl-7-nitro-2H-1,4-benzodiazepin-2-one

Sources & evidence

ORD record
ord-d39e2d61bcc4487ab6a68ff67a28d0fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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