HRID2346722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID7237

o-Xylene

C8H10

HCID8148

N-Butyl-1-butanamine

C8H19N

结构：CC(C)Oc1nc(Cl)nc(N2C(C)(C)CCCC2(C)C)n1

HCID19991784

未命名化合物

PRODUCTS

生成物

结构：CCCCN(CCCC)c1nc(OC(C)C)nc(N2C(C)(C)CCCC2(C)C)n1

HCID19991748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a626ace253b4783943f9a4ced496e99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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