Ethyl 5-(3-chloro-5-fluorophenyl)-4-(3-cyano-4-fluorophenyl)thiophene-2-carboxylate → 5-(3-Chloro-5-fluorophenyl)-4-(3-cyano-4-fluorophenyl)thiophene-2-carboxylic acid

반응식

[Cl:1][c:2]1[cH:3][c:4](-[c:5]2[s:6][c:7]([C:8]([OH:9])=[O:10])[cH:11][c:12]2-[c:13]2[cH:14][cH:15][cH:16][c:17]([C:18]#[N:19])[cH:20]2)[cH:21][c:22]([F:23])[cH:24]1.[Cl:25][c:26]1[cH:27][c:28](-[c:33]2[c:34](-[c:43]3[cH:44][c:45]([C:50]#[N:51])[c:46]([F:49])[cH:47][cH:48]3)[cH:35][c:36]([C:38](=[O:39])[O:40][CH2:41][CH3:42])[s:37]2)[cH:29][c:30]([F:32])[cH:31]1>>[Cl:25][c:26]1[cH:27][c:28](-[c:33]2[c:34](-[c:43]3[cH:44][c:45]([C:50]#[N:51])[c:46]([F:49])[cH:47][cH:48]3)[cH:35][c:36]([C:38](=[O:39])[OH:40])[s:37]2)[cH:29][c:30]([F:32])[cH:31]1

참가 물질

반응물 2

HCID 58066742Ethyl 5-(3-chloro-5-fluorophenyl)-4-(3-cyano-4-fluorophenyl)thiophene-2-carboxylate

HCID 580667575-(3-Chloro-5-fluorophenyl)-4-(3-cyanophenyl)thiophene-2-carboxylic acid

생성물 1

HCID 580667555-(3-Chloro-5-fluorophenyl)-4-(3-cyano-4-fluorophenyl)thiophene-2-carboxylic acid

출처 및 근거

ORD 기록: ord-1864f2f41be740de99fd35542c0d8f5e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

반응 노트

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