Water → 1-Propanesulfonic acid, 3,3,3-trifluoro-, 4-(2-(2,4-dichlorophenyl)-5-methyl-4-((1-piperidinylamino)carbonyl)-1H-imidazol-1-yl)phenyl ester

HRID 285879Notes

Reaction equation

HRID 285879 reaction equation
[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cl:49][CH2:50][Cl:51].[F:38][C:39]([CH2:40][CH2:41][S:42](=[O:43])(=[O:44])[Cl:45])([F:46])[F:47].[N:1]1([NH:7][C:8](=[O:9])[c:10]2[n:11][c:12](-[c:23]3[c:24]([Cl:30])[cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[n:13](-[c:16]3[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]3)[c:14]2[CH3:15])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[OH2:48]>>[N:1]1([NH:7][C:8](=[O:9])[c:10]2[n:11][c:12](-[c:23]3[c:24]([Cl:30])[cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[n:13](-[c:16]3[cH:17][cH:18][c:19]([O:22][S:42]([CH2:41][CH2:40][C:39]([F:38])([F:46])[F:47])(=[O:43])=[O:44])[cH:20][cH:21]3)[c:14]2[CH3:15])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 27611773,3,3-Trifluoropropane-1-sulfonyl chlorideHCID 589650752-(2,4-Dichlorophenyl)-1-(4-hydroxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid piperidin-1-ylamide

Product 1

HCID 115489331-Propanesulfonic acid, 3,3,3-trifluoro-, 4-(2-(2,4-dichlorophenyl)-5-methyl-4-((1-piperidinylamino)carbonyl)-1H-imidazol-1-yl)phenyl ester

Sources & evidence

ORD record
ord-faf46a2c60564a9dac6233251bd2baa1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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