HRID2129333

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(N)cc(Br)c2)(c2ccccc2)CC1

HCID58993695

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COCc2cc(N)cc(-c3ccc(C#N)cc3)c2)(c2ccccc2)CC1

HCID58993467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab8ff6e6e3124a5899a92ff0ffc69dac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:31](#[N:32])[c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1.[K+:43].[NH2:1][c:2]1[cH:3][c:4]([CH2:5][O:6][CH2:7][C:8]2([c:21]3[cH:22][cH:23][cH:24][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:27][c:28]([Br:30])[cH:29]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH-:42].[Pd:49].[c:107]1([P:108]([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)[cH:121][cH:122][cH:123][cH:124][cH:125]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[NH2:1][c:2]1[cH:3][c:4]([CH2:5][O:6][CH2:7][C:8]2([c:21]3[cH:22][cH:23][cH:24][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:27][c:28](-[c:36]2[cH:35][cH:34][c:33]([C:31]#[N:32])[cH:38][cH:37]2)[cH:29]1