HRID116150

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

结构：CC(OCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)cc(C(F)(F)F)c1

HCID58993627

未命名化合物

PRODUCTS

生成物

结构：CC(OCC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(-c2ccc(C#N)cc2)cc(C(F)(F)F)c1

HCID58993681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68128e84088342a282d9416b776cf2b7
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[cH:3][c:4]([CH:12]([CH3:13])[O:14][CH2:15][C:16]2([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]2)[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[C:35](#[N:36])[c:37]1[cH:38][cH:39][c:40]([B:43]([OH:44])[OH:45])[cH:41][cH:42]1.[F:46][C:47]([F:48])([F:49])[C:50]([OH:51])=[O:52].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[Pd:58].[c:116]1([P:117]([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131][cH:132][cH:133][cH:134]1.[c:59]1([P:60]([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)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([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)[cH:92][cH:93][cH:94][cH:95][cH:96]1.[c:97]1([P:98]([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)[cH:111][cH:112][cH:113][cH:114][cH:115]1>>[c:2]1(-[c:40]2[cH:39][cH:38][c:37]([C:35]#[N:36])[cH:42][cH:41]2)[cH:3][c:4]([CH:12]([CH3:13])[O:14][CH2:15][C:16]2([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]2)[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1