HRID1203662

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

HCID23151114

未命名化合物

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

HCID57751894

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cc(Cn2c(C(=O)c3cc(C)cc(Br)c3)c(C(C)C)c(=O)[nH]c2=O)ccn1

HCID66705545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd26c10e86984926a1a86f3621438d64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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