HRID2346061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

结构：CC(C)(C)OC(=O)N1CCC(COCc2cc(Br)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CC1

HCID58993524

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COCc2cc(-c3ccc(C#N)cc3)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CC1

HCID58993637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9efd5e7c92684db4b22e6b2e5ec6a0b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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