HRID666795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24386

Thionyl chloride

Cl2OS

HCID89888

3,5-Dichloropyridin-4-amine

C5H4Cl2N2

HCID166653

Hydride

H-

结构：COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(C(=O)O)c1)=NC(C)(C)C2

HCID22343701

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(C(=O)Nc3c(Cl)cncc3Cl)c1)=NC(C)(C)C2

HCID22344269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-432ea8b96bef45e98c9631a7a3f3f86d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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