HRID2320011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID19660

Carbonate

CO3-2

HCID24764

Hexamethyldisiloxane

C6H18OSi2

结构：CC(C)COC(=O)Nc1ccc(C2(O)CCSCC2)c(F)c1

HCID9840360

未命名化合物

结构：CC(C)CN(C(=O)[O-])c1ccc(C2=CCSCC2)c(F)c1

HCID178449620

未命名化合物

PRODUCTS

生成物

HCID15550046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e39b161848cd4bfd8e40c87877f807dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:64](=[O:65])([O-:66])[O-:67].[CH3:23][Si:24]([CH3:25])([CH3:26])[O:27][Si:28]([CH3:29])([CH3:30])[CH3:31].[CH3:43][CH:44]([CH3:45])[CH2:46][N:47]([c:48]1[cH:49][cH:50][c:51]([C:52]2=[CH:57][CH2:56][S:55][CH2:54][CH2:53]2)[c:58]([F:59])[cH:60]1)[C:61](=[O:62])[O-:63].[CH3:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[F:1][c:2]1[cH:3][c:4]([NH:15][C:16]([O:17][CH2:18][CH:19]([CH3:20])[CH3:21])=[O:22])[cH:5][cH:6][c:7]1[C:8]1([OH:14])[CH2:9][CH2:10][S:11][CH2:12][CH2:13]1.[K+:68].[K+:69].[OH2:77].[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([OH:38])(=[O:39])=[O:40])[cH:41][cH:42]1>>[F:1][c:2]1[cH:3][c:4]([NH:15][C:16]([O:17][CH2:18][CH:19]([CH3:20])[CH3:21])=[O:22])[cH:5][cH:6][c:7]1[CH:8]1[CH2:9][CH2:10][S:11][CH2:12][CH2:13]1