HRID174472

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8071

未命名化合物

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

结构：CC1(C)OB(c2ccc(Cl)c(CS(=O)(=O)C(C)(C)C)c2)OC1(C)C

HCID66906305

未命名化合物

结构：CCOC(=O)CCc1ccc(OS(=O)(=O)C(F)(F)F)c(OCCCOC)c1

HCID86633298

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCc1ccc(-c2ccc(Cl)c(CS(=O)(=O)C(C)(C)C)c2)c(OCCCOC)c1

HCID66906561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6be55cc9fa2e49c9b6da8a971819cc37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:28]([CH3:29])([CH3:30])([CH3:31])[S:32](=[O:33])(=[O:34])[CH2:35][c:36]1[cH:37][c:38]([B:43]2[O:44][C:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51]2)[cH:39][cH:40][c:41]1[Cl:42].[CH3:1][O:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:10][cH:11][c:12]1[O:13][S:14]([C:15]([F:16])([F:17])[F:18])(=[O:19])=[O:20].[CH3:54][O:55][CH2:56][CH2:57][O:58][CH3:59].[CH3:60][CH2:61][OH:62].[Cs+:53].[F-:52]>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH2:21][CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:10][cH:11][c:12]1-[c:38]1[cH:37][c:36]([CH2:35][S:32]([C:28]([CH3:29])([CH3:30])[CH3:31])(=[O:33])=[O:34])[c:41]([Cl:42])[cH:40][cH:39]1