HRID139937

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID11971028

2-Amino-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethan-1-ol

C7H15NO3

结构：O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)cc1

HCID15057607

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCC(C(O)CNC(=O)c2ccc(S(=O)(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)O1

HCID15057608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56c52f0854914a838cb2144467a632bd
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

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