HRID202263

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2734702

3,4-Dimethoxyphenylboronic acid

C8H11BO4

HCID86619638

4-Iodo-6-propyl-pyrimidine-2-carbonitrile

C8H8IN3

PRODUCTS

生成物

HCID69050432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96b205f184d04e9cb3d9cae82c0c0c14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:13](=[O:14])([O-:15])[O-:16].[CH3:19][O:20][c:21]1[cH:22][c:23]([B:29]([OH:30])[OH:31])[cH:24][cH:25][c:26]1[O:27][CH3:28].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[I:1][c:2]1[n:3][c:4]([C:11]#[N:12])[n:5][c:6]([CH2:8][CH2:9][CH3:10])[cH:7]1.[K+:17].[K+:18].[OH2:32].[Pd:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113][cH:114][cH:115][cH:116]1>>[c:2]1(-[c:23]2[cH:22][c:21]([O:20][CH3:19])[c:26]([O:27][CH3:28])[cH:25][cH:24]2)[n:3][c:4]([C:11]#[N:12])[n:5][c:6]([CH2:8][CH2:9][CH3:10])[cH:7]1