HRID173071

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

HCID166653

Hydride

H-

HCID313624

6-chloro[1,2,4]triazolo[4,3-b]pyridazine

C5H3ClN4

HCID15524146

未命名化合物

PRODUCTS

生成物

结构：c1ccc(C(c2ccccc2)N2CCN(CCCOc3ccc4nncn4n3)CC2)cc1

HCID15524147

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b71a765c591a46828ea94d64e6a348b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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