Water → 4-[2-(2,4-dichlorophenyl)-5-methyl-4-({[5-(trifluoromethyl)pyridin-2-yl]amino}carbonyl)-1H-imidazol-1-yl]phenyl 3-methylbutane-1-sulfonate

HRID 1557180Notes

Reaction equation

HRID 1557180 reaction equation
[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][CH:43]([CH2:44][CH2:45][S:46](=[O:47])(=[O:48])[Cl:49])[CH3:50].[Cl:1][c:2]1[c:3](-[c:9]2[n:10](-[c:28]3[cH:29][cH:30][c:31]([OH:34])[cH:32][cH:33]3)[c:11]([CH3:27])[c:12]([C:14](=[O:15])[NH:16][c:17]3[n:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[n:13]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Cl:52][CH2:53][Cl:54].[OH2:51]>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10](-[c:28]3[cH:29][cH:30][c:31]([O:34][S:46]([CH2:45][CH2:44][CH:43]([CH3:42])[CH3:50])(=[O:47])=[O:48])[cH:32][cH:33]3)[c:11]([CH3:27])[c:12]([C:14](=[O:15])[NH:16][c:17]3[n:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]3)[n:13]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 129333273-Methylbutane-1-sulfonyl chlorideHCID 685074162-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methyl-N-[5-(trifluoromethyl)pyridin-2-yl]-1H-imidazole-4-carboxamide

Product 1

HCID 115998914-[2-(2,4-dichlorophenyl)-5-methyl-4-({[5-(trifluoromethyl)pyridin-2-yl]amino}carbonyl)-1H-imidazol-1-yl]phenyl 3-methylbutane-1-sulfonate

Sources & evidence

ORD record
ord-60d71fb8108947b79cdeeebcdadf5229
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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