Ethanol → Ethyl 2-(2-chloro-6-nitroanilino)-5-ethyl-thiophene-3-carboxylate

반응식

[CH3:25][CH2:26][OH:27].[Cl:14][c:15]1[c:16]([F:24])[c:17]([N+:21](=[O:22])[O-:23])[cH:18][cH:19][cH:20]1.[NH2:1][c:2]1[s:3][c:4]([CH2:12][CH3:13])[cH:5][c:6]1[C:7](=[O:8])[O:9][CH2:10][CH3:11]>>[NH:1]([c:2]1[s:3][c:4]([CH2:12][CH3:13])[cH:5][c:6]1[C:7](=[O:8])[O:9][CH2:10][CH3:11])[c:16]1[c:15]([Cl:14])[cH:20][cH:19][cH:18][c:17]1[N+:21](=[O:22])[O-:23]

참가 물질

반응물 3

HCID 702Ethanol

HCID 750161-Chloro-2-fluoro-3-nitrobenzene

HCID 78263Ethyl 2-amino-5-ethyl-3-thenoate

생성물 1

HCID 20387682Ethyl 2-(2-chloro-6-nitroanilino)-5-ethyl-thiophene-3-carboxylate

출처 및 근거

ORD 기록: ord-b549e4fd6fad4d8d9f6de69becff6dad
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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