HRID315475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID44119555

(4,4-Dimethylcyclohex-1-en-1-yl)boronic acid

C8H15BO2

HCID58754809

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

结构：COc1ccc(-c2ccc(N)c(C3=CCC(C)(C)CC3)c2)cn1

HCID58754885

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-945c8a2d343f432b985ce3b423680340
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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