HRID834703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID81531

Diisopropylethylamine

C8H19N

结构：COc1ccc(C#N)cc1S(=O)(=O)NCCc1ccc(-c2ccccc2S(C)(=O)=O)cc1O

HCID17856227

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1cc(-c2ccccc2S(C)(=O)=O)ccc1CCNS(=O)(=O)c1cc(C#N)ccc1OC

HCID10393283

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e78f792bc4784faaafcb721dc0551a62
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:43][CH2:44][C:45](=[O:46])[O:47][CH2:48][CH3:49].[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:32][CH3:33])[c:7]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH2:14][c:15]2[c:16]([OH:31])[cH:17][c:18](-[c:21]3[c:22]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[cH:8]1.[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[OH2:50]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:32][CH3:33])[c:7]([S:9](=[O:10])(=[O:11])[NH:12][CH2:13][CH2:14][c:15]2[c:16]([O:31][CH2:44][C:45](=[O:46])[O:47][CH2:48][CH3:49])[cH:17][c:18](-[c:21]3[c:22]([S:27](=[O:28])(=[O:29])[CH3:30])[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)[cH:8]1