Nitromethane → tert-Butyl [1-(2-chlorophenyl)-2-nitroethyl]carbamate

반응식

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

참가 물질

반응물 3

HCID 6375Nitromethane

HCID 81531Diisopropylethylamine

HCID 66678450tert-Butyl [(E)-(2-chlorophenyl)methylene]carbamate

생성물 1

HCID 59536890tert-Butyl [1-(2-chlorophenyl)-2-nitroethyl]carbamate

출처 및 근거

ORD 기록: ord-e642d516f3394da486dadfcbc31fc517
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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