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

HRID 1201543Notes

Reaction equation

HRID 1201543 reaction equation
[Br-:1].[CH3:3][c:4]1[cH:5][cH:6][c:7]([S:8]([O:9][C:14]2=[N:15][N:16]([c:37]3[n:38][cH:39][cH:40][cH:41][c:42]3[Cl:43])[CH:17]([C:19]([NH:20][c:21]3[c:22]([C:28]([NH:29][CH:30]([CH3:31])[CH:32]4[CH2:33][CH2:34]4)=[O:35])[cH:23][c:24]([Cl:27])[cH:25][cH:26]3)=[O:36])[CH2:18]2)(=[O:10])=[O:11])[cH:12][cH:13]1.[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[NH4+:2].[OH2:49]>>[Br:1][C:14]1=[N:15][N:16]([c:37]2[n:38][cH:39][cH:40][cH:41][c:42]2[Cl:43])[CH:17]([C:19]([NH:20][c:21]2[c:22]([C:28]([NH:29][CH:30]([CH3:31])[CH:32]3[CH2:33][CH2:34]3)=[O:35])[cH:23][c:24]([Cl:27])[cH:25][cH:26]2)=[O:36])[CH2:18]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 259Bromide ionHCID 962WaterHCID 6228DimethylformamideHCID 866399065-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenylcarbamoyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl 4-methylbenzenesulfonate

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-18c3b5bdde0b48a1bfbf60d9a03b2107
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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