Benzene → 1-Methyl-5-(2-dimethylaminomethylphenyl)-3-(3-chlorophenyl)-1,2,4-triazole

반응식

[CH3:1][n:2]1[n:3][c:4](-[c:15]2[cH:16][c:17]([Cl:21])[cH:18][cH:19][cH:20]2)[n:5][c:6]1-[c:7]1[c:8]([CH2:13][Br:14])[cH:9][cH:10][cH:11][cH:12]1.[CH3:22][NH:23][CH3:24].[cH:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[CH3:1][n:2]1[n:3][c:4](-[c:15]2[cH:16][c:17]([Cl:21])[cH:18][cH:19][cH:20]2)[n:5][c:6]1-[c:7]1[c:8]([CH2:13][N:23]([CH3:22])[CH3:24])[cH:9][cH:10][cH:11][cH:12]1

참가 물질

반응물 3

HCID 241Benzene

HCID 674Dimethylamine

HCID 213219331-Methyl-3-(3-chlorophenyl)-5-(2-bromomethylphenyl)-1,2,4-triazole

생성물 1

HCID 213219321-Methyl-5-(2-dimethylaminomethylphenyl)-3-(3-chlorophenyl)-1,2,4-triazole

출처 및 근거

ORD 기록: ord-e78007f204c94ebabc245486cb8fd757
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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