HRID1129724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID40274

N-(1,1-Dimethylethyl)-1,3-propanediamine

C7H18N2

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

HCID2757246

3-(tert-BUTYLAMINO)PROPIONITRILE

C7H14N2

HCID14820171

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NCCCNC(=O)Cn1cnc(-c2ccccc2)c1-c1ccccc1

HCID14820174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1674831dd3e341c5a0be24f5d986a861
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

[Al+3:34].[C:24]([CH3:25])([CH3:26])([CH3:27])[NH:28][CH2:29][CH2:30][CH2:31][NH2:32].[C:39]([NH:40][CH2:41][CH2:42][C:43]#[N:44])([CH3:45])([CH3:46])[CH3:47].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH2:53]([Cl:54])[Cl:55].[H-:33].[H-:36].[H-:37].[H-:38].[Li+:35].[OH2:56].[c:1]1(-[c:7]2[n:8][cH:9][n:10]([CH2:18][C:19]([O:21][CH2:20][CH3:22])=[O:23])[c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][cH:9][n:10]([CH2:18][C:19](=[O:21])[NH:32][CH2:31][CH2:30][CH2:29][NH:28][C:24]([CH3:25])([CH3:26])[CH3:27])[c:11]2-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1