Ethanol → 5-(4-chloro-alpha-hydroxybenzyl)-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole

반응식

[CH2:24]([OH:25])[CH3:26].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][c:7]2[n:8][c:9](-[c:13]3[c:14]([Cl:20])[cH:15][cH:16][cH:17][c:18]3[F:19])[n:10][n:11]2[CH3:12])[cH:21][cH:22]1.[OH2:23]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:6]([c:7]2[n:8][c:9](-[c:13]3[c:14]([Cl:20])[cH:15][cH:16][cH:17][c:18]3[F:19])[n:10][n:11]2[CH3:12])[OH:23])[cH:21][cH:22]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 962Water

HCID 154110235-(4-chlorobenzyl)-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole

생성물 1

HCID 545584935-(4-chloro-alpha-hydroxybenzyl)-3-(2-chloro-6-fluorophenyl)-1-methyl-1H-1,2,4-triazole

출처 및 근거

ORD 기록: ord-d71ecccedbaf4d85aa19db545a350d91
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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