HRID1124032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID82115

Silanecarbonitrile, trimethyl-

C4H9NSi

HCID562787

4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride

C10H13ClO3S

HCID4640555

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C)c(S(=O)(=O)NC(C(=O)OCc2ccccc2)C(C)C)c(C)c1C

HCID72980437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54de161290a540a7a6292774891e73d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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