Water → 2-azido-4-bromo-N-(4-fluorophenyl)-benzamide

HRID 117787Notes

Reaction equation

[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[N:1](=[N+:2]=[N-:3])[c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][c:11]([Br:13])[cH:12]1.[NH2:47][c:48]1[cH:49][cH:50][c:51]([F:52])[cH:53][cH:54]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:60].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[n:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[N:1](=[N+:2]=[N-:3])[c:4]1[c:5]([C:6](=[O:8])[NH:47][c:48]2[cH:49][cH:50][c:51]([F:52])[cH:53][cH:54]2)[cH:9][cH:10][c:11]([Br:13])[cH:12]1

Participants

Reactant 7

HCID 962Water

HCID 6228Dimethylformamide

HCID 97314-Fluoroaniline

HCID 9886Hexafluorophosphate

HCID 81531Diisopropylethylamine

HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

HCID 860515482-Azido-4-bromobenzoic acid

Product 1

HCID 866664212-azido-4-bromo-N-(4-fluorophenyl)-benzamide

Sources & evidence

ORD record: ord-c0bfed5ce63b4e1e9230174e4a01905c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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