HRID701043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID599474

Isoquinoline-5-boronic acid

C9H8BNO2

HCID821848

4-Bromo-3-fluoroaniline

C6H5BrFN

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

HCID59383936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb3e79b6f5b84fb5897e6be2463426be
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

[Br:1][c:2]1[c:3]([F:9])[cH:4][c:5]([NH2:8])[cH:6][cH:7]1.[CH3:23][CH2:24][OH:25].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Na+:26].[Na+:27].[O-:28][C:29](=[O:30])[O-:31].[cH:10]1[n:11][cH:12][cH:13][c:14]2[c:15]([B:20]([OH:21])[OH:22])[cH:16][cH:17][cH:18][c:19]12.[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:15]2[c:14]3[cH:13][cH:12][n:11][cH:10][c:19]3[cH:18][cH:17][cH:16]2)[c:3]([F:9])[cH:4][c:5]([NH2:8])[cH:6][cH:7]1