HRID2159405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID3776

Isopropanol

C3H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

HCID178426173

未命名化合物

PRODUCTS

生成物

结构：CC1CCCN1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2n1

HCID178426174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cc24925ea5b462fa386fc65fe22e0c8
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

[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([CH2:12][CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[n:8][c:9]2[cH:10][cH:11]1.[C:20](#[N:21])[c:22]1[cH:23][cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH:39]([OH:40])([CH3:41])[CH3:42].[K+:36].[K+:37].[K+:38].[P:31]([O-:32])([O-:33])([O-:34])=[O:35].[Pd:49]([Cl:50])[Cl:51].[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([C:20]#[N:21])[cH:27][cH:26]2)[cH:3][c:4]2[cH:5][cH:6][c:7]([CH2:12][CH2:13][N:14]3[CH:15]([CH3:19])[CH2:16][CH2:17][CH2:18]3)[n:8][c:9]2[cH:10][cH:11]1