HRID1554181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：CC1(C)OB(c2ccc3ccc(-c4ccccc4)nc3c2)OC1(C)C

HCID53629011

2-Phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C21H22BNO2

HCID57681074

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：Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2C1CCC1

HCID11718099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6a4ef490853441389bd51f93045315a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:41](=[O:42])([O-:43])[O-:44].[CH:1]1([n:5]2[cH:6][c:7]([I:15])[c:8]3[c:9]2[n:10][cH:11][n:12][c:13]3[NH2:14])[CH2:2][CH2:3][CH2:4]1.[Na+:45].[Na+:46].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[c:16]1(-[c:22]2[n:23][c:24]3[cH:25][c:26]([B:32]4[O:33][C:34]([CH3:35])([CH3:36])[C:37]([CH3:38])([CH3:39])[O:40]4)[cH:27][cH:28][c:29]3[cH:30][cH:31]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1.[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[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)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[CH:1]1([n:5]2[cH:6][c:7](-[c:26]3[cH:25][c:24]4[n:23][c:22](-[c:16]5[cH:17][cH:18][cH:19][cH:20][cH:21]5)[cH:31][cH:30][c:29]4[cH:28][cH:27]3)[c:8]3[c:9]2[n:10][cH:11][n:12][c:13]3[NH2:14])[CH2:2][CH2:3][CH2:4]1