Toluene → N'-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

반응식

[CH3:1][O:2][CH:3]([N:4]([CH2:5][CH3:6])[CH3:7])[O:8][CH3:9].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cl:10][c:11]1[c:12](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[n:13][s:14][c:15]1[O:16][c:17]1[cH:18][c:19]([CH3:25])[c:20]([NH2:21])[cH:22][c:23]1[CH3:24]>>[CH:3]([N:4]([CH2:5][CH3:6])[CH3:7])=[N:21][c:20]1[c:19]([CH3:25])[cH:18][c:17]([O:16][c:15]2[c:11]([Cl:10])[c:12](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[n:13][s:14]2)[c:23]([CH3:24])[cH:22]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 23017846N-(dimethoxymethyl)-N-methylethanamine

HCID 582837094-[(4-Chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylaniline

생성물 1

HCID 58283721N'-[4-[(4-chloro-3-phenyl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

출처 및 근거

ORD 기록: ord-8c25e262bd0a48619b8bdb2d62eafc1a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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