HRID124538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

结构：Brc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1

HCID23094059

5-Bromo-1,2-diphenyl-1H-benzimidazole

C19H13BrN2

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：Clc1ccc(-c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccccc2)cc1

HCID23160231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6c9c1cda08c4fda87e77466e974fdc5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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