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

HRID 302684Notes

Reaction equation

HRID 302684 reaction equation
[Br-:45].[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[c:24]([N+:25]([O-:26])=[O:27])[c:28]([S:29]([O-:30])(=[O:31])=[O:32])[cH:33][cH:34][cH:35]3)=[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+:44].[Na+:52].[OH-:51].[S:46](=[O:47])(=[O:48])([OH:49])[OH:50]>>[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:45])=[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

7

Reactant 6

HCID 176Acetic AcidHCID 259Bromide ionHCID 923Sodium ion2×HCID 961HydroxideHCID 1118Sulfuric AcidHCID 867619275-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenylcarbamoyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl2-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-47be923a7a094838bea43871b590bf1b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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