HRID125078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

结构：O=S(=O)(OC1=CC2CCC(C1)N2Cc1ccccc1)C(F)(F)F

HCID49835910

8-Benzyl-8-azabicyclo[3.2.1]oct-2-en-3-yl trifluoromethanesulfonate

C15H16F3NO3S

HCID58270661

未命名化合物

结构：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

HCID178461726

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)Oc1c(C#N)cccc1C1=CC2CCC(C1)N2Cc1ccccc1

HCID67151999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16c71bb42647418898818d9bfcb4d050
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:1][c:2]1[c:3]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[c:4]([C:5]#[N:6])[cH:7][cH:8][cH:9]1.[CH2:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[N:27]1[CH:28]2[CH:29]=[C:30]([O:35][S:36]([C:37]([F:38])([F:39])[F:40])(=[O:41])=[O:42])[CH2:31][CH:32]1[CH2:33][CH2:34]2.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH:16]([Mg+:17])([CH3:18])[CH3:19].[Cl-:15].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[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)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[c:2]1([C:30]2=[CH:29][CH:28]3[N:27]([CH2:20][c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[CH:32]([CH2:31]2)[CH2:33][CH2:34]3)[c:3]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[c:4]([C:5]#[N:6])[cH:7][cH:8][cH:9]1