Toluene → t-Butyl 4-(cyanoacetyl)-1-piperazinecarboxylate

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 7764Ethyl cyanoacetate

HCID 143452tert-Butyl piperazine-1-carboxylate

생성물 1

HCID 18946315t-Butyl 4-(cyanoacetyl)-1-piperazinecarboxylate

출처 및 근거

ORD 기록: ord-e346e1e0ca70463f9507917538587a6d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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