HRID682571

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID10932600

4-CHLORO-2-FLUORO-5-METHOXYPHENYLBORONIC ACID

C7H7BClFO3

HCID18427299

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

HCID18427301

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edc0cda3491947f3b7103b78230817b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:25](=[O:26])([O-:27])[OH:28].[Cl:12][c:13]1[cH:14][c:15]([F:24])[c:16]([B:21]([OH:22])[OH:23])[cH:17][c:18]1[O:19][CH3:20].[Cl:1][c:2]1[n:3][cH:4][c:5]([S:9](=[O:10])[CH3:11])[cH:6][c:7]1[Cl:8].[Na+:29].[OH2:30].[cH:31]1[cH:32][cH:33][c:34]([P:35]([Pd:36]([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107]1>>[c:2]1(-[c:16]2[c:15]([F:24])[cH:14][c:13]([Cl:12])[c:18]([O:19][CH3:20])[cH:17]2)[n:3][cH:4][c:5]([S:9](=[O:10])[CH3:11])[cH:6][c:7]1[Cl:8]