HRID186073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID82115

Silanecarbonitrile, trimethyl-

C4H9NSi

结构：COc1cc(C)c(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C(CN)C(=O)OC(C)(C)C)c(C)c1

HCID178491745

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C(CNS(C)(=O)=O)C(=O)OC(C)(C)C)c(C)c1

HCID178491749

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2014837a7d04a0f951deb699299b6d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH2:6][N:7]([CH:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16][NH2:17])[S:18](=[O:19])(=[O:20])[c:21]3[c:22]([CH3:30])[cH:23][c:24]([O:28][CH3:29])[cH:25][c:26]3[CH3:27])[cH:31][cH:32][c:33]2[O:34]1.[CH3:35][Si:36]([C:37]#[N:38])([CH3:39])[CH3:40].[CH3:41][S:42]([Cl:43])(=[O:44])=[O:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][C:53]#[N:54]>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([CH2:6][N:7]([CH:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16][NH:17][S:42]([CH3:41])(=[O:44])=[O:45])[S:18](=[O:19])(=[O:20])[c:21]3[c:22]([CH3:30])[cH:23][c:24]([O:28][CH3:29])[cH:25][c:26]3[CH3:27])[cH:31][cH:32][c:33]2[O:34]1