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

HRID 107195Notes

Reaction equation

HRID 107195 reaction equation
[BrH:45].[C:41]([OH:42])(=[O:43])[CH3:44].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:54][C:55](=[O:56])[OH:57].[Cl:1][c:2]1[cH:3][c:4]([C:33]([NH:34][CH:35]([CH3:36])[CH:37]2[CH2:38][CH2:39]2)=[O:40])[c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH2:12][C:13]([c:23]3[c:24]([S:25]([O-:26])(=[O:27])=[O:28])[cH:29][cH:30][cH:31][n:32]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+:53].[OH-:52].[OH2:58]>>[Cl:1][c:2]1[cH:3][c:4]([C:33]([NH:34][CH:35]([CH3:36])[CH:37]2[CH2:38][CH2:39]2)=[O:40])[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

8

Reactant 7

HCID 176Acetic Acid2×HCID 260Hydrogen BromideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 867619315-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenylcarbamoyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl3-pyridine 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-25271f2103404d4dbb0ba4f41b8922cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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