HRID117615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID3776

Isopropanol

C3H8O

HCID5413

Tetraethylammonium

C8H20N+

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：Cn1nccc1Cc1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1F

HCID42629327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0e6df5d5d8a4abba18545cfd1ef0636
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:27][c:28]1[cH:29][c:30]([F:41])[c:31]([CH2:32][c:33]2[cH:34][cH:35][n:36][n:37]2[CH3:38])[cH:39][cH:40]1.[CH2:55]([N+:56]([CH2:57][CH3:58])([CH2:59][CH3:60])[CH2:61][CH3:62])[CH3:63].[CH3:44][C:45]([CH3:46])([O-:47])[CH3:48].[CH:1]([Si:2]([CH:3]([CH3:4])[CH3:21])([S:5][c:6]1[cH:7][c:8]([C:12]2([C:18](=[O:19])[NH2:20])[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[cH:9][cH:10][cH:11]1)[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[CH:50]([OH:51])([CH3:52])[CH3:53].[Cl-:54].[Cs+:43].[F-:42].[K+:49].[cH:64]1[cH:65][cH:66][c:67]([P:68]([Pd:69]([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)([c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[cH:139][cH:140]1>>[S:5]([c:6]1[cH:7][c:8]([C:12]2([C:18](=[O:19])[NH2:20])[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[cH:9][cH:10][cH:11]1)[c:28]1[cH:29][c:30]([F:41])[c:31]([CH2:32][c:33]2[cH:34][cH:35][n:36][n:37]2[CH3:38])[cH:39][cH:40]1