HRID161145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

结构：C=[C](c1ccc(F)cc1)[Sn]([CH2]CCC)([CH2]CCC)[CH2]CCC

HCID67111781

未命名化合物

结构：COC(=O)C1CN(Cc2ccc(-c3nc4ccc(Cl)nc4s3)c(F)c2)C1

HCID86638707

Methyl 1-((4-(5-chlorothiazolo[5,4-b]pyridine-2-yl)-3-fluorophenyl)methyl)azetidine-3-carboxylate

C18H15ClFN3O2S

PRODUCTS

生成物

结构：C=C(c1ccc(F)cc1)c1ccc2nc(-c3ccc(CN4CC(C(=O)OC)C4)cc3F)sc2n1

HCID67111924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0103ce0a5e4d4360a6bb475558bcd9f8
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

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