Dichloromethane → benzyl N-[3,3-dimethyl-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)butyl]carbamate

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 8471Triethylamine

HCID 67391819(3-Methyloxetan-3-yl)methyl 4,4-dimethyl-2-(phenylmethoxycarbonylamino)pentanoate

생성물 1

HCID 67391456benzyl N-[3,3-dimethyl-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)butyl]carbamate

출처 및 근거

ORD 기록: ord-15b7ec4fb3d94885b9edb156824cdd81
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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