Hydrochloric Acid → 3-(4-chlorophenyl)-1-[3-((4-chlorophenyl)sulfonyl)butanoyl]-4,5-dihydro-4-phenyl-1H-pyrazole

HRID 672489Notes

Reaction equation

HRID 672489 reaction equation
[CH2:27]([N:28]=[C:29]=[N:30][CH2:31][CH2:32][CH2:33][N:34]([CH3:35])[CH3:36])[CH3:37].[CH:17]([N:18]([CH:19]([CH3:20])[CH3:21])[CH2:22][CH3:23])([CH3:24])[CH3:25].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]([CH2:12][C:13](=[O:14])[OH:15])[CH3:16])[cH:6][cH:7]1.[Cl:38][c:39]1[cH:40][cH:41][c:42]([C:45]2=[N:46][NH:47][CH2:48][CH:49]2[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:43][cH:44]1.[ClH:26]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]([CH2:12][C:13](=[O:15])[N:47]2[N:46]=[C:45]([c:42]3[cH:41][cH:40][c:39]([Cl:38])[cH:44][cH:43]3)[CH:49]([c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[CH2:48]2)[CH3:16])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 81531DiisopropylethylamineHCID 27390873-(4-Chlorobenzenesulfonyl)butyric acidHCID 113688843-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazole

Product 1

HCID 112142203-(4-chlorophenyl)-1-[3-((4-chlorophenyl)sulfonyl)butanoyl]-4,5-dihydro-4-phenyl-1H-pyrazole

Sources & evidence

ORD record
ord-d75f252ed59348cd9e342f53a700a1a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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