Dichloromethane → 1-(4-(Chloromethyl)thiazol-2-yl)-1-(2,4-dimethoxybenzyl)-3-(3-fluorobenzyl)urea

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6434993-Fluorobenzyl isocyanate

HCID 866612894-(chloromethyl)-N-(2,4-dimethoxybenzyl)thiazol-2-amine

생성물 1

HCID 580550941-(4-(Chloromethyl)thiazol-2-yl)-1-(2,4-dimethoxybenzyl)-3-(3-fluorobenzyl)urea

출처 및 근거

ORD 기록: ord-e8e2dd9f8ccb479fbfb42a368d258a42
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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