HRID155684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

反应SMILES：N#Cc1c(C(F)(F)F)cc(-c2ccc(Br)s2)n(Cc2ccc(F)cc2F)c1=O

HCID11605314

未命名化合物

反应SMILES：CSc1ccc(B2OC(C)(C)C(C)(C)O2)cn1

HCID44755191

2-(Methylsulfanyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C12H18BNO2S

反应SMILES：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

产物

反应SMILES：CSc1ccc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)s2)cn1

HCID59726624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-93aefcd69e1143d09555a767385252a5
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

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([C:25]([F:26])([F:27])[F:28])[c:10]([C:23]#[N:24])[c:11](=[O:22])[n:12]2[CH2:13][c:14]2[c:15]([F:21])[cH:16][c:17]([F:20])[cH:18][cH:19]2)[s:6]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:129][O:130][CH2:131][CH2:132][O:133][CH3:134].[CH3:29][S:30][c:31]1[n:32][cH:33][c:34]([B:37]2[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]2)[cH:35][cH:36]1.[K+:50].[K+:51].[OH2:135].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[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)[cH:127][cH:128]1>>[c:2]1(-[c:34]2[cH:33][n:32][c:31]([S:30][CH3:29])[cH:36][cH:35]2)[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([C:25]([F:26])([F:27])[F:28])[c:10]([C:23]#[N:24])[c:11](=[O:22])[n:12]2[CH2:13][c:14]2[c:15]([F:21])[cH:16][c:17]([F:20])[cH:18][cH:19]2)[s:6]1