Dichloromethane → [1-(4-Benzo[1,3]dioxol-5-yl-cyclohex-3-enyl)-azetidin-3-yl]-carbamic acid tert-butyl ester

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 15194053-Aminoazetidine, 3-BOC protected

HCID 595419144-(Benzo[D][1,3]dioxol-5-YL)cyclohex-3-enone

생성물 1

HCID 59541968[1-(4-Benzo[1,3]dioxol-5-yl-cyclohex-3-enyl)-azetidin-3-yl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-e80ea16e87df4336bfbd03637ec968de
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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