Acetic Acid → 3-bromo-N-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide

HRID 1548445Notes

Reaction equation

HRID 1548445 reaction equation
[BrH:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:53][C:54](=[O:55])[OH:56].[Cl:1][c:2]1[cH:3][c:4]([C:36]([NH:37][CH:38]([CH3:39])[CH:40]2[CH2:41][CH2:42]2)=[O:43])[c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH2:12][C:13]([c:23]3[cH:24][c:25]([N+:26]([O-:27])=[O:28])[cH:29][cH:30][c:31]3[S:32]([O-:33])(=[O:34])=[O:35])=[N:14][N:15]2[c:16]2[n:17][cH:18][cH:19][cH:20][c:21]2[Cl:22])[cH:6][cH:7]1.[Na+:52].[OH-:51].[OH2:57]>>[Cl:1][c:2]1[cH:3][c:4]([C:36]([NH:37][CH:38]([CH3:39])[CH:40]2[CH2:41][CH2:42]2)=[O:43])[c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH2:12][C:13]([Br:44])=[N:14][N:15]2[c:16]2[n:17][cH:18][cH:19][cH:20][c:21]2[Cl:22])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 866509135-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenylcarbamoyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl-4-nitrobenzene sulfonate

Product 1

HCID 441856063-bromo-N-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxamide

Sources & evidence

ORD record
ord-9d410ab9e6454f48996003f43d65f081
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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