HRID814162

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

结构：COc1cccc(Nc2c(C(N)=O)cnc3cc(Cl)c(I)cc23)c1

HCID57763200

未命名化合物

HCID57763224

3-Mercapto-N,N-dimethylbenzamide

C9H11NOS

PRODUCTS

生成物

结构：COc1cccc(Nc2c(C(N)=O)cnc3cc(Sc4cccc(C(=O)N(C)C)c4)c(I)cc23)c1

HCID57763286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a61161c112a5443c9f1c027d312ab609
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

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