HRID177380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID166653

Hydride

H-

HCID12684326

Ethyl 4-chloropyrimidine-5-carboxylate

C7H7ClN2O2

HCID23120041

2-Chloro-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)aniline

C15H15ClN2O2S

PRODUCTS

生成物

结构：CCOC(=O)c1cncnc1Nc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl

HCID68514819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcd66f92be7b417cbab14c2392e6f20e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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