HRID99708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8066

2-Butyne-1,4-diol

C4H6O2

HCID81646

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

C6H12N2O

HCID166653

Hydride

H-

结构：COc1ccccc1Oc1c(Cl)ncnc1NS(=O)(=O)c1ccc(C(C)C)cn1

HCID22729407

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)ncnc1OCC#CCO

HCID10140871

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-19ae4076a0b84c7d846593418efcf897
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

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