Acetonitrile → [(3RS,4SR)-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][N:11]([CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:12][CH:13]1[c:14]1[cH:15][c:16]([Cl:21])[c:17]([Cl:20])[cH:18][cH:19]1)=[O:29].[CH3:39][C:40]#[N:41].[Cl:30][C:31]([O:32][CH2:33][C:34]([Cl:35])([Cl:36])[Cl:37])=[O:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH:9]1[CH2:10][NH:11][CH2:12][CH:13]1[c:14]1[cH:15][c:16]([Cl:21])[c:17]([Cl:20])[cH:18][cH:19]1)=[O:29]

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 870632,2,2-Trichloroethyl chloroformate

HCID 67025859[(3RS,4SR)-1-Benzyl-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester

생성물 1

HCID 67025572[(3RS,4SR)-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-methyl-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-0b4cf08464b9437e896f898fb8ea7251
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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