HRID145954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8071

未命名化合物

HCID8470

Trimethyl borate

C3H9BO3

HCID28486

Lithium ion

Li+

HCID77531

2,4-Dichloropyrimidine

C4H2Cl2N2

HCID5062348

未命名化合物

HCID32639827

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

HCID57936245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89eae284e7e34d64a5e4f6e59dc0631d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:35](=[O:36])([OH:37])[O-:38].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:122][O:123][CH2:124][CH2:125][O:126][CH3:127].[CH3:13][CH:14]([N-:15][CH:16]([CH3:17])[CH3:18])[CH3:19].[CH3:1][C:2]([CH3:3])([CH2:4][CH2:5][c:6]1[s:7][cH:8][cH:9][cH:10]1)[OH:11].[CH3:20][O:21][B:22]([O:23][CH3:24])[O:25][CH3:26].[Cl:27][c:28]1[n:29][cH:30][cH:31][c:32]([Cl:34])[n:33]1.[Li+:12].[Na+:39].[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>>[CH3:1][C:2]([CH3:3])([CH2:4][CH2:5][c:6]1[s:7][c:8](-[c:32]2[cH:31][cH:30][n:29][c:28]([Cl:27])[n:33]2)[cH:9][cH:10]1)[OH:11]