Dichloromethane → N-(4-tert-butylphenyl)-3-(3-chloro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 27356951-Tert-butyl-4-isocyanatobenzene

HCID 219047683-(3-Chloropyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane

생성물 1

HCID 11463692N-(4-tert-butylphenyl)-3-(3-chloro-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide

출처 및 근거

ORD 기록: ord-5f0123ccbc6e4929ba442a7057bc56f9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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