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

HRID 2158434Notes

Reaction equation

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

Participants

Reactant 4

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 24614Phosphorus tribromide

HCID 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-e2c604d316b4444c976455e5284229ec
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…