HRID2332540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID28486

Lithium ion

Li+

HCID75676

Diethyl (cyanomethyl)phosphonate

C6H12NO3P

HCID3280088

未命名化合物

结构：COC(=O)C=C(c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1

HCID9820154

未命名化合物

HCID21584608

未命名化合物

PRODUCTS

生成物

HCID54246879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01efe570387748019c4b137ccd3c5347
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[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]