HRID830422

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID17208

Benzyltriethylammonium

C13H22N+

HCID24813

Phosphoric trichloride

Cl3OP

HCID81531

Diisopropylethylamine

C8H19N

结构：Nc1nc(O)cc(C2CCCN(C(=O)OCc3ccccc3)C2)n1

HCID178508967

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(Cl)cc(C2CCCN(C(=O)OCc3ccccc3)C2)n1

HCID58733388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1d7baa921b441a7b6ff44788e2eefa5
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:45]([N+:46]([CH2:47][CH3:48])([CH2:49][CH3:50])[CH2:51][CH3:52])[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:41][C:42]#[N:43].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cl-:44].[NH2:1][c:2]1[n:3][c:4]([OH:24])[cH:5][c:6]([CH:8]2[CH2:9][N:10]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:11][CH2:12][CH2:13]2)[n:7]1.[Na+:40].[OH-:39].[OH2:59].[P:34]([Cl:35])([Cl:36])([Cl:37])=[O:38]>>[NH2:1][c:2]1[n:3][c:4]([Cl:36])[cH:5][c:6]([CH:8]2[CH2:9][N:10]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[CH2:11][CH2:12][CH2:13]2)[n:7]1