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Hexane → 3-(3,4-Dimethoxyphenyl)-3-pyridin-4-ylacrylonitrile

HRID 2332540
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HRID 2332540 반응식
[CH2:45]([O:46][P:47](=[O:48])([O:49][CH2:50][CH3:51])[CH2:53][C:54]#[N:55])[CH3:52].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6]([c:7]2[cH:8][cH:9][c:10]([O:11][CH3:12])[c:13]([O:14][CH3:15])[cH:16]2)=[CH:17][C:18]([O:19][CH3:20])=[O:21])[cH:22][cH:23][c:24]1[O:25][CH3:26].[CH3:27][O:28][c:29]1[cH:30][c:31]([C:32](=[O:33])[c:34]2[cH:35][cH:36][n:37][cH:38][cH:39]2)[cH:40][cH:41][c:42]1[O:43][CH3:44].[CH3:56][Si:57]([CH3:58])([CH3:59])[N-:60][Si:61]([CH3:62])([CH3:63])[CH3:64].[CH3:66][CH2:67][CH2:68][CH2:69][CH2:70][CH3:71].[Li+:65]>>[CH3:27][O:28][c:29]1[cH:30][c:31]([C:32]([c:34]2[cH:35][cH:36][n:37][cH:38][cH:39]2)=[CH:53][C:54]#[N:55])[cH:40][cH:41][c:42]1[O:43][CH3:44]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 8058HexaneHCID 28486Lithium ionHCID 75676Diethyl (cyanomethyl)phosphonateHCID 3280088Npc316347HCID 9820154Methyl 3,3-bis-(3,4-dimethoxyphenyl)acrylateHCID 215846084-(3,4-Dimethoxybenzoyl)pyridine

생성물 1

HCID 54246879
3-(3,4-Dimethoxyphenyl)-3-pyridin-4-ylacrylonitrile

출처 및 근거

ORD 기록
ord-01efe570387748019c4b137ccd3c5347
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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