HRID1548065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID15512767

2-Bromo-6-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine

C11H11BrN2

HCID22662103

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：CCc1cc(-c2cccc(-n3c(C)ccc3C)n2)c(OC)cc1OCc1ccccc1

HCID22662095

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6e918b2b80c40a3baff49781ae8af1e
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

[Br:1][c:2]1[n:3][c:4](-[n:8]2[c:9]([CH3:14])[cH:10][cH:11][c:12]2[CH3:13])[cH:5][cH:6][cH:7]1.[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:22][c:23]1[cH:24][c:25]([O:34][CH3:35])[c:26]([B:31]([OH:32])[OH:33])[cH:27][c:28]1[CH2:29][CH3:30].[CH3:42][CH2:43][OH:44].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH2:45].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([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)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([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)[cH:121][cH:122]1>>[c:2]1(-[c:26]2[c:25]([O:34][CH3:35])[cH:24][c:23]([O:22][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:28]([CH2:29][CH3:30])[cH:27]2)[n:3][c:4](-[n:8]2[c:9]([CH3:14])[cH:10][cH:11][c:12]2[CH3:13])[cH:5][cH:6][cH:7]1