Hydrogen Bromide → 7-(5-Acetamidomethyl-2-isoindolinyl)-1-cyclopropyl-5-amino-6,8-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HRID 215540Notes

Reaction equation

HRID 215540 reaction equation
[BrH:22].[C:23]([CH3:24])(=[O:25])[NH:26][CH2:27][c:28]1[cH:29][c:30]2[c:34]([cH:35][cH:36]1)[CH2:33][NH:32][CH2:31]2.[CH2:37]1[CH2:38][CH2:39][C:40]2=[N:45][CH2:44][CH2:43][CH2:42][N:41]2[CH2:46][CH2:47]1.[CH:1]1([n:4]2[cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7](=[O:18])[c:8]3[c:9]([NH2:17])[c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[CH:1]1([n:4]2[cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7](=[O:18])[c:8]3[c:9]([NH2:17])[c:10]([F:16])[c:11]([N:32]4[CH2:31][c:30]5[cH:29][c:28]([CH2:27][NH:26][C:23]([CH3:24])=[O:25])[cH:36][cH:35][c:34]5[CH2:33]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 260Hydrogen BromideHCID 6228DimethylformamideHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 139109475-Amino-1-cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidHCID 15167905N-(isoindolin-5-ylmethyl)acetamide

Product 1

HCID 570083157-(5-Acetamidomethyl-2-isoindolinyl)-1-cyclopropyl-5-amino-6,8-difluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Sources & evidence

ORD record
ord-d91e6ae5699e439daf22e6aa3b590325
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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