HRID1137036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID14517

4-Fluorobenzonitrile

C7H4FN

HCID166653

Hydride

H-

结构：CC(=O)N1CCCC1c1cc2c(cc1O)nc(-c1ccccn1)n2COCC[Si](C)(C)C

HCID23145277

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCCC1c1cc2c(cc1Oc1ccc(C#N)cc1)nc(-c1ccccn1)n2COCC[Si](C)(C)C

HCID23145833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-203772fb5beb487281ec54082dc312ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:44](=[O:45])([OH:46])[O-:47].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[F:35][c:36]1[cH:37][cH:38][c:39]([C:42]#[N:43])[cH:40][cH:41]1.[H-:1].[Na+:2].[Na+:48].[OH:3][c:4]1[c:5]([CH:27]2[N:28]([C:32]([CH3:33])=[O:34])[CH2:29][CH2:30][CH2:31]2)[cH:6][c:7]2[c:8]([n:9][c:10](-[c:20]3[n:21][cH:22][cH:23][cH:24][cH:25]3)[n:11]2[CH2:12][O:13][CH2:14][CH2:15][Si:16]([CH3:17])([CH3:18])[CH3:19])[cH:26]1>>[O:3]([c:4]1[c:5]([CH:27]2[N:28]([C:32]([CH3:33])=[O:34])[CH2:29][CH2:30][CH2:31]2)[cH:6][c:7]2[c:8]([n:9][c:10](-[c:20]3[n:21][cH:22][cH:23][cH:24][cH:25]3)[n:11]2[CH2:12][O:13][CH2:14][CH2:15][Si:16]([CH3:17])([CH3:18])[CH3:19])[cH:26]1)[c:36]1[cH:37][cH:38][c:39]([C:42]#[N:43])[cH:40][cH:41]1