Dichloromethane → N-octylazepane-2-carboxamide

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 21019257Tert-butyl 2-(octylcarbamoyl)azepane-1-carboxylate

생성물 1

HCID 21019248N-octylazepane-2-carboxamide

출처 및 근거

ORD 기록: ord-a2c0d9bd738e4772bee7a64d354c262f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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