HRID2317957

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

结构：CCOC(=O)c1ccc(-n2cc(C#N)c3cc(Br)ccc32)cc1

HCID25052346

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-n2cc(C#N)c3cc(-c4ccc(OC)cc4)ccc32)cc1

HCID25052347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fa2ce040358416fac52784ee455b625
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

[C:35](=[O:36])([O-:37])[O-:38].[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8](-[n:11]2[cH:12][c:13]([C:21]#[N:22])[c:14]3[cH:15][c:16]([Br:20])[cH:17][cH:18][c:19]23)[cH:9][cH:10]1)=[O:23].[CH3:125][CH2:126][OH:127].[CH3:24][O:25][c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1.[CH3:41][O:42][CH2:43][CH2:44][O:45][CH3:46].[K+:39].[K+:40].[OH2:124].[Pd:47].[c:105]1([P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120][cH:121][cH:122][cH:123]1.[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101][cH:102][cH:103][cH:104]1>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][cH:7][c:8](-[n:11]2[cH:12][c:13]([C:21]#[N:22])[c:14]3[cH:15][c:16](-[c:29]4[cH:28][cH:27][c:26]([O:25][CH3:24])[cH:31][cH:30]4)[cH:17][cH:18][c:19]23)[cH:9][cH:10]1)=[O:23]