HRID114009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID13018

Benzene, 1-ethynyl-4-methyl- (9CI)

C9H8

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

结构：O=C(O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)s1

HCID67386622

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C#Cc2ccc(S(=O)(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O)s2)cc1

HCID74084831

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff2095f4ba394fa5b65c33fd42be8103
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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