1,2-Dichloroethane → 1-[5-(3-methanesulfonylamino-2-methoxy-5-trifluoromethyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic Acid Methyl Ester

HRID 89172Notes

Reaction equation

HRID 89172 reaction equation
[CH2:30]([Cl:31])[CH2:32][Cl:33].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7][n:8](-[c:10]2[c:11]([CH3:19])[cH:12][cH:13][c:14]([C:16](=[O:17])[OH:18])[cH:15]2)[cH:9]1.[NH2:34][c:35]1[c:36]([O:50][CH3:51])[c:37]([NH:45][S:46](=[O:47])(=[O:48])[CH3:49])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:57].[OH:20][n:21]1[c:22]2[n:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7][n:8](-[c:10]2[c:11]([CH3:19])[cH:12][cH:13][c:14]([C:16](=[O:18])[NH:34][c:35]3[c:36]([O:50][CH3:51])[c:37]([NH:45][S:46](=[O:47])(=[O:48])[CH3:49])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]3)[cH:15]2)[cH:9]1

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 962WaterHCID 6228DimethylformamideHCID 181649HOAtHCID 22506980N-(3-amino-2-methoxy-5-trifluoromethyl-phenyl)-methanesulfonamideHCID 587848831-(5-carboxy-2-methyl-phenyl)-1H-1,2,3-triazole-4-carboxylic acid methyl ester

Product 1

HCID 104369241-[5-(3-methanesulfonylamino-2-methoxy-5-trifluoromethyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic Acid Methyl Ester

Sources & evidence

ORD record
ord-8a4265b8a4044f2a864e80f5319f8e8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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