HRID199051

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID9882302

未命名化合物

HCID10774141

4-(bromomethyl)-5-methyl-1,3-dioxol-2-one

C5H5BrO3

PRODUCTS

生成物

结构：Cc1oc(=O)oc1CSC(C)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID20079608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cb6d1d368514a089f1ddf1e814086f6
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

[Br:20][CH2:21][c:22]1[o:23][c:24](=[O:28])[o:25][c:26]1[CH3:27].[C:29](=[O:30])([O-:31])[O-:32].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[F:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([CH:16]([CH3:17])[SH:18])[OH:19])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[K+:33].[K+:34].[OH2:46]>>[F:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([CH:16]([CH3:17])[S:18][CH2:21][c:22]2[o:23][c:24](=[O:28])[o:25][c:26]2[CH3:27])[OH:19])[cH:4][cH:5][c:6]([F:8])[cH:7]1