Dimethylformamide → Methyl 3-bromo-5-((1-(4-fluorophenyl)ethyl)-carbamoyl)benzoate

HRID 313785Notes

Reaction equation

HRID 313785 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([C:11](=[O:12])[O:13][CH3:14])[cH:10]1.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[F:39][c:40]1[cH:41][cH:42][c:43]([CH:46]([CH3:47])[NH2:48])[cH:44][cH:45]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[P-:15]([F:16])([F:17])([F:18])([F:19])([F:20])[F:21].[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[n:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:48][CH:46]([c:43]2[cH:42][cH:41][c:40]([F:39])[cH:45][cH:44]2)[CH3:47])[cH:8][c:9]([C:11](=[O:12])[O:13][CH3:14])[cH:10]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 1230631-(4-Fluorophenyl)ethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 225936413-Bromo-5-(methoxycarbonyl)benzoic acid

Product 1

HCID 57529327Methyl 3-bromo-5-((1-(4-fluorophenyl)ethyl)-carbamoyl)benzoate

Sources & evidence

ORD record
ord-f9d07ff837154674a34451ae70f39f44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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