O-Xylene → Ethyl (4-(2-benzoxazolyl)amino-5-chloro-2-fluorophenyl)acetate

반응식

[Cl:1][c:2]1[o:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][cH:9][cH:10]2.[NH2:11][c:12]1[cH:13][c:14]([F:25])[c:15]([CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:16][c:17]1[Cl:18].[c:26]1([CH3:27])[c:28]([CH3:29])[cH:30][cH:31][cH:32][cH:33]1>>[c:2]1([NH:11][c:12]2[cH:13][c:14]([F:25])[c:15]([CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:16][c:17]2[Cl:18])[o:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][cH:9][cH:10]2

참가 물질

반응물 3

HCID 7237O-Xylene

HCID 119862-Chlorobenzoxazole

HCID 17858807Ethyl 4-amino-5-chloro-2-fluorophenylacetate

생성물 1

HCID 58778947Ethyl (4-(2-benzoxazolyl)amino-5-chloro-2-fluorophenyl)acetate

출처 및 근거

ORD 기록: ord-16f1e25dd7ff4794a5e49c3a67939cc8
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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