Isopropanol → 2-(2,4-Dichlorophenyl)-1-(1-methylimidazol-2-yl)sulfinyl-3-(1,2,4-triazol-1-yl)propan-2-ol

HRID 87305Notes

Reaction equation

HRID 87305 reaction equation
[CH2:36]([Cl:37])[Cl:38].[CH:39]([OH:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([CH2:16][S:17][c:18]2[n:19]([CH3:23])[cH:20][cH:21][n:22]2)[OH:24])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Cl:25][c:26]1[cH:27][cH:28][cH:29][c:30]([C:31]([O:32][OH:34])=[O:33])[cH:35]1>>[Cl:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([CH2:16][S:17]([c:18]2[n:19]([CH3:23])[cH:20][cH:21][n:22]2)=[O:33])[OH:24])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 6344DichloromethaneHCID 70297m-Chloroperbenzoic acidHCID 201939451-[2-(2,4-Dichlorophenyl)-2-hydroxy-3-(1-methylimidazol-2-ylthio)-propyl]-1,2,4-triazole

Product 1

HCID 201939412-(2,4-Dichlorophenyl)-1-(1-methylimidazol-2-yl)sulfinyl-3-(1,2,4-triazol-1-yl)propan-2-ol

Sources & evidence

ORD record
ord-e5f10fa9519b4fe293978732d5e9deaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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