Dimethylamine → N'-{4-[(1,2-Benzothiazol-5-yl)oxy]-3-chlorophenyl}-N,N-dimethylurea

반응식

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

참가 물질

반응물 3

HCID 674Dimethylamine

HCID 3283Diethyl Ether

HCID 233204485-(2-Chloro-4-isocyanatophenoxy)-1,2-benzothiazole

생성물 1

HCID 13269412N'-{4-[(1,2-Benzothiazol-5-yl)oxy]-3-chlorophenyl}-N,N-dimethylurea

출처 및 근거

ORD 기록: ord-69e8a90c36684384bcb240f6ce1dcfb1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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