HRID2133842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7914

Isopropyl ether

C6H14O

HCID8058

n-Hexane

C6H14

HCID8100

1,5-Dibromopentane

C5H10Br2

HCID166653

Hydride

H-

结构：Cc1cc(C)c(-c2cn(C)c3nc(N)n(C)c(=O)c23)c(C)c1

HCID67267328

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(-c2cn(C)c3nc(N4CCCCC4)n(C)c(=O)c23)c(C)c1

HCID54582962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbb0f87549da4d13a7409cc62b76f3c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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