Bicarbonate Ion → 5-(o-fluorophenyl)-1,3-dihydro-1,3,3-trimethyl-7-nitro-2H-1,4-benzodiazepin-2-one

HRID 695898Notes

Reaction equation

HRID 695898 reaction equation
[C:37](=[O:38])([OH:39])[O-:40].[F:1][c:2]1[c:3]([C:4]([c:6]2[c:7]([N:15]([C:16](=[O:17])[C:18]([CH3:19])([CH3:20])[NH:21][C:5](=[O:22])[O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH3:32])[cH:8][cH:9][c:10]([N+:12](=[O:13])[O-:14])[cH:11]2)=[O:31])[cH:33][cH:34][cH:35][cH:36]1.[H:42][H:43].[Na+:41]>>[F:1][c:2]1[c:3]([C:4]2=[N:21][C:18]([CH3:19])([CH3:20])[C:16](=[O:17])[N:15]([CH3:32])[c:7]3[c:6]2[cH:11][c:10]([N+:12](=[O:13])[O-:14])[cH:9][cH:8]3)[cH:33][cH:34][cH:35][cH:36]1

Participants

5

Reactant 4

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 86738817HCID 86738817, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 205061565-(o-fluorophenyl)-1,3-dihydro-1,3,3-trimethyl-7-nitro-2H-1,4-benzodiazepin-2-one

Sources & evidence

ORD record
ord-e937a3873fd64bf3b8c76d65cdbba53b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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