HRID307172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28179

Fluoride

F-

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

结构：CCCn1ncc(C#N)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID17961964

未命名化合物

PRODUCTS

生成物

HCID17961991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c82cc452304149acb1d7b4fa61b3d971
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Al+3:2].[CH2:7]([CH2:8][CH3:9])[n:10]1[n:11][cH:12][c:13]([C:35]#[N:36])[c:14]1[NH:15][C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[F-:37].[H-:1].[H-:4].[H-:5].[H-:6].[Li+:3].[Na+:38].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:39]>>[CH2:7]([CH2:8][CH3:9])[n:10]1[n:11][cH:12][c:13]([CH2:35][NH2:36])[c:14]1[NH:15][C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1