Dichloromethane → 4-[1-[[5-Chloro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 178464846CID 77595358

생성물 1

HCID 730607414-[1-[[5-Chloro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid

출처 및 근거

ORD 기록: ord-c7b66af4a3004cd28a60a0b1af835f46
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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