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Potassium Cation → 1-[3-(4-Chlorobenzylthio)-2-(2,4-dichlorophenyl)-2-hydroxypropyl]-1,2,4-triazole

HRID 145146
Notes
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Reaction equation

HRID 145146 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[Cl:23][c:24]1[cH:25][cH:26][c:27]([CH2:28][SH:29])[cH:30][cH:31]1.[Cl:6][c:7]1[c:8]([C:14]2([CH2:17][n:18]3[n:19][cH:20][n:21][cH:22]3)[O:15][CH2:16]2)[cH:9][cH:10][c:11]([Cl:13])[cH:12]1.[K+:36].[K+:37].[OH2:43]>>[Cl:6][c:7]1[c:8]([C:14]([OH:15])([CH2:16][S:29][CH2:28][c:27]2[cH:26][cH:25][c:24]([Cl:23])[cH:31][cH:30]2)[CH2:17][n:18]2[n:19][cH:20][n:21][cH:22]2)[cH:9][cH:10][c:11]([Cl:13])[cH:12]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 6395Methanesulfonic AcidHCID 19660Carbonate IonHCID 804094-Chlorobenzyl mercaptanHCID 104232291H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)oxiranyl]methyl]-

Product 1

HCID 204049251-[3-(4-Chlorobenzylthio)-2-(2,4-dichlorophenyl)-2-hydroxypropyl]-1,2,4-triazole

Sources & evidence

ORD record
ord-09d91c7622f64fcea4aa15de2989c05e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes