HRID2142391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID10442

1,3-Propanediol

C3H8O2

HCID19660

Carbonate

CO3-2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

HCID11426638

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：c1ccc(-c2noc(-c3cncc(-c4cccnc4)c3)n2)nc1

HCID21942540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67170f54fdd740e8a1da4cfbf7c48753
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

[CH2:19]([OH:20])[CH2:21][CH2:22][OH:23].[CH3:116][O:117][CH2:118][CH2:119][O:120][CH3:121].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([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)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([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)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1.[n:1]1[c:2](-[c:7]2[n:8][o:9][c:10](-[c:12]3[cH:13][n:14][cH:15][c:16]([Br:18])[cH:17]3)[n:11]2)[cH:3][cH:4][cH:5][cH:6]1.[n:24]1[cH:25][c:26]([B:30]([OH:31])[OH:32])[cH:27][cH:28][cH:29]1>>[n:1]1[c:2](-[c:7]2[n:8][o:9][c:10](-[c:12]3[cH:13][n:14][cH:15][c:16](-[c:26]4[cH:25][n:24][cH:29][cH:28][cH:27]4)[cH:17]3)[n:11]2)[cH:3][cH:4][cH:5][cH:6]1