Dichloromethane → [1-(2,4-dimethoxy-benzyl)-4,4-dimethyl-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl]-carbamic acid tert-butyl ester

반응식

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

참가 물질

반응물 2

HCID 6344Dichloromethane

HCID 69507319{1-[Allyl-(2,4-dimethoxy-benzyl)-carbamoyl]-2,2-dimethyl-but-3-enyl}-carbamic acid tert-butyl ester

생성물 1

HCID 69492432[1-(2,4-dimethoxy-benzyl)-4,4-dimethyl-2-oxo-2,3,4,7-tetrahydro-1H-azepin-3-yl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-a4705dc7780140e59e569f18a57f3a94
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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