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

HRID 301124
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인쇄 미리보기

반응식

HRID 301124 반응식
[Br:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([F:11])[cH:9][cH:10]2.[NH2:12][c:13]1[cH:14][c:15]([F:26])[c:16]([CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:17][c:18]1[Cl:19].[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([O-:33])(=[O:34])=[O:35])[cH:36][cH:37]1.[c:44]1([CH3:45])[c:46]([CH3:47])[cH:48][cH:49][cH:50][cH:51]1.[nH+:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[c:2]1([NH:12][c:13]2[cH:14][c:15]([F:26])[c:16]([CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:17][c:18]2[Cl:19])[s:3][c:4]2[c:5]([n:6]1)[cH:7][c:8]([F:11])[cH:9][cH:10]2
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 7237O-XyleneHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 17858807Ethyl 4-amino-5-chloro-2-fluorophenylacetateHCID 178593962-Bromo-5-fluorobenzo[d]thiazole

생성물 1

HCID 58778765Ethyl (5-chloro-4-(5-fluoro-2-benzothiazolyl)amino-2-fluorophenyl)acetate

출처 및 근거

ORD 기록
ord-ca9e193bc69f4fafa8545937c90a2ffe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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