HRID1141773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID61668

Boronic acid

H3BO2

结构：COc1cc2c(cc1Br)C(c1cccc(C#N)c1)=NCC(=O)N2C

HCID69287738

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1-c1ccccc1)C(c1cccc(C#N)c1)=NCC(=O)N2C

HCID11246008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7971f85faf2a4987807082fd750f14f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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