HRID2148239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

2 次

HCID8028

Tetrahydrofuran

C4H8O

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-53fa83d438aa4b298e1f258d63e0bd00
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

[Br:22][c:23]1[n:24][c:25](-[n:29]2[c:30]([CH3:35])[cH:31][cH:32][c:33]2[CH3:34])[cH:26][cH:27][cH:28]1.[CH2:123]([OH:124])[CH3:125].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([O:20][CH3:21])[c:12]([B:17]([OH:18])[OH:19])[cH:13][c:14]1[CH2:15][CH3:16].[CH3:43][OH:44].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[O:126]1[CH2:127][CH2:128][CH2:129][CH2:130]1.[OH2:122].[OH2:42].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([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)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([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)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([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)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([O:20][CH3:21])[c:12](-[c:23]2[n:24][c:25](-[n:29]3[c:30]([CH3:35])[cH:31][cH:32][c:33]3[CH3:34])[cH:26][cH:27][cH:28]2)[cH:13][c:14]1[CH2:15][CH3:16]