HRID202622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID78345

Pyrimidine, 2-bromo-

C4H3BrN2

HCID11084115

2-formylthiophene-4-boronic acid

C5H5BO3S

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

HCID22631239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a1f2944c37a484c89568104b2ddfafb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:17][c:18]1[n:19][cH:20][cH:21][cH:22][n:23]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:25][O:26][CH2:27][CH2:28][O:29][CH3:30].[CH:7](=[O:8])[c:9]1[cH:10][c:11]([B:14]([OH:15])[OH:16])[cH:12][s:13]1.[Cl:31][CH2:32][Cl:33].[Na+:5].[Na+:6].[OH2:24].[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[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)[cH:109][cH:110]1>>[CH:7](=[O:8])[c:9]1[cH:10][c:11](-[c:18]2[n:19][cH:20][cH:21][cH:22][n:23]2)[cH:12][s:13]1