HRID303217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Cc1cc(Cl)cc(C(=O)c2[nH]c(=O)[nH]c(=O)c2C(C)C)c1

HCID21303237

未命名化合物

HCID59184714

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2cc(Cn3c(C(=O)c4cc(C)cc(Cl)c4)c(C(C)C)c(=O)[nH]c3=O)cc(Cl)n2)cc1

HCID59184873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48afafe4fd614ba3a8c757911ec83aea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:53](=[O:54])([O-:55])[O-:56].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][S:28](=[O:29])(=[O:30])[Cl:31].[CH:61]([Cl:62])([Cl:63])[Cl:64].[Cl:1][c:2]1[n:3][c:4]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:5][c:6]([CH2:8][OH:9])[cH:7]1.[Cl:32][c:33]1[cH:34][c:35]([C:36](=[O:37])[c:38]2[c:39]([CH:46]([CH3:47])[CH3:48])[c:40](=[O:45])[nH:41][c:42](=[O:44])[nH:43]2)[cH:49][c:50]([CH3:52])[cH:51]1.[I-:59].[K+:57].[K+:58].[Li+:60].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69]>>[Cl:1][c:2]1[n:3][c:4]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:5][c:6]([CH2:8][n:43]2[c:38]([C:36]([c:35]3[cH:34][c:33]([Cl:32])[cH:51][c:50]([CH3:52])[cH:49]3)=[O:37])[c:39]([CH:46]([CH3:47])[CH3:48])[c:40](=[O:45])[nH:41][c:42]2=[O:44])[cH:7]1