Acrylonitrile → 2-Methyl-5-nitrocinnamonitrile

HRID 105738

반응식

HRID 105738 반응식
[CH2:14]=[CH:15][C:16]#[N:17].[CH2:18]([CH:19]([CH2:20][CH2:21][CH2:22][CH3:23])[CH2:24][N:25]([CH2:26][CH:27]([CH2:28][CH3:29])[CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH:35]([CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH3:41])[CH3:42].[CH3:1][c:2]1[c:3]([C:4]([Cl:5])=[O:6])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1.[O:43]=[C:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[CH3:1][c:2]1[c:3]([CH:4]=[CH:15][C:16]#[N:17])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1

참가 물질

5

출처 및 근거

ORD 기록
ord-977c1e83f8aa4d4892ec701aa8c3412f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

불러오는 중…