Acetic Acid → Hydrogen Bromide

HRID 98536Notes

Reaction equation

HRID 98536 reaction equation
[BrH:44].[CH2:1]([O:2][C:3](=[O:4])[NH:11][CH:12]1[C:13](=[O:43])[N:14]([CH2:31][C:32](=[O:33])[c:34]2[c:35]([N+:40](=[O:41])[O-:42])[cH:36][cH:37][cH:38][cH:39]2)[c:15]2[c:16]([cH:26][cH:27][cH:28][c:29]2[CH3:30])[C:17]([c:19]2[c:20]([F:25])[cH:21][cH:22][cH:23][cH:24]2)=[N:18]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:46][C:47](=[O:48])[OH:49].[OH2:45]>>[BrH:44].[NH2:11][CH:12]1[C:13](=[O:43])[N:14]([CH2:31][C:32](=[O:33])[c:34]2[c:35]([N+:40](=[O:41])[O-:42])[cH:36][cH:37][cH:38][cH:39]2)[c:15]2[c:16]([cH:26][cH:27][cH:28][c:29]2[CH3:30])[C:17]([c:19]2[c:20]([F:25])[cH:21][cH:22][cH:23][cH:24]2)=[N:18]1

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 962WaterHCID 21701321(3RS)-3-benzyloxycarbonylamino-2,3-dihydro-5-(2-fluorophenyl)-9-methyl-1-(2-nitrophenacyl)-1H-1,4-benzodiazepin-2-one

Product 2

HCID 260Hydrogen BromideHCID 217013493-amino-5-(2-fluorophenyl)-9-methyl-1-[2-(2-nitrophenyl)-2-oxoethyl]-3H-1,4-benzodiazepin-2-one

Sources & evidence

ORD record
ord-052f3a38d88740729e710c8808f6983b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…