Methyl Ethyl Ketone → Isopropyl 5-benzamido-2-chloro-4-fluoro-benzoate

반응식

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

참가 물질

반응물 3

HCID 6569Methyl Ethyl Ketone

HCID 7412Benzoyl chloride

HCID 13519894Propan-2-yl 5-amino-2-chloro-4-fluorobenzoate

생성물 1

HCID 507314Isopropyl 5-benzamido-2-chloro-4-fluoro-benzoate

출처 및 근거

ORD 기록: ord-b8de193dd898467bb1a90058035ab7f1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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