Methyl Ethyl Ketone → Isopropyl 2-chloro-5-((2,2-dimethylpropanoyl)amino)-4-fluorobenzoate

반응식

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

참가 물질

반응물 3

HCID 6569Methyl Ethyl Ketone

HCID 62493Pivaloyl chloride

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

생성물 1

HCID 361505Isopropyl 2-chloro-5-((2,2-dimethylpropanoyl)amino)-4-fluorobenzoate

출처 및 근거

ORD 기록: ord-38347cf1d8664026a5043cd8866c2e1e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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