HRID199291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6584

Methyl acetate

C3H6O2

HCID14917

Hydrogen fluoride

结构：CCC(CC)(c1ccc(OCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C)c(C)c1)c1cc(C)c(S(N)(=O)=O)s1

HCID57890140

未命名化合物

PRODUCTS

生成物

HCID6584

Methyl acetate

C3H6O2

结构：CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1cc(C)c(S(N)(=O)=O)s1

HCID57890069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81983e5013b14888a7dabe5e94c6390f
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

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