1,4-Dioxane → 1-Methyl-4-{3-[3-(methyloxy)-4-nitrophenyl]-2-propyn-1-yl}piperazine

반응식

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

참가 물질

반응물 3

HCID 312751,4-Dioxane

HCID 531671-Methylpiperazine

HCID 594529054-(3-Chloro-1-propyn-1-yl)-2-(methyloxy)-1-nitrobenzene

생성물 1

HCID 594530051-Methyl-4-{3-[3-(methyloxy)-4-nitrophenyl]-2-propyn-1-yl}piperazine

출처 및 근거

ORD 기록: ord-697b2e2276c54a8483a59f18e7986e48
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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