Hydrochloric Acid → 5-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenylcarbamoyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl 4-methylbenzenesulfonate

HRID 1538034Notes

Reaction equation

HRID 1538034 reaction equation
[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Cl:1][c:2]1[cH:3][c:4]([C:24]([NH:25][CH:26]([CH3:27])[CH:28]2[CH2:29][CH2:30]2)=[O:31])[c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH2:12][C:13]([OH:23])=[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.[ClH:45].[H-:32].[Na+:33].[c:34]1([CH3:44])[cH:35][cH:36][c:37]([S:40](=[O:41])(=[O:42])[Cl:43])[cH:38][cH:39]1>>[Cl:1][c:2]1[cH:3][c:4]([C:24]([NH:25][CH:26]([CH3:27])[CH:28]2[CH2:29][CH2:30]2)=[O:31])[c:5]([NH:8][C:9](=[O:10])[CH:11]2[CH2:12][C:13]([O:23][S:40]([c:37]3[cH:36][cH:35][c:34]([CH3:44])[cH:39][cH:38]3)(=[O:41])=[O:42])=[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 313Hydrochloric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 73974-Toluenesulfonyl chlorideHCID 166653HydrideHCID 178464833HCID 178464833, compound

Product 1

HCID 866399065-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenylcarbamoyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl 4-methylbenzenesulfonate

Sources & evidence

ORD record
ord-529e96067f644975adaf0f341de9a9c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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