HRID284120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID139144

3-Hydroxyphenylacetylene

C8H6O

结构：CCOC(=O)CS(=O)(=NC(=O)c1cncc(Br)c1)c1ccccc1

HCID76585243

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CS(=O)(=NC(=O)c1cncc(C#Cc2cccc(O)c2)c1)c1ccccc1

HCID178473184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfbd81e770ec4e239291dfe906aacb2b
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

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