HRID186835

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID140539

Isoquinoline, 1-chloro-

C9H6ClN

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

HCID137882

Isoquinoline, 1-phenyl-

C15H11N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da2045c582c042aebbe20e3963c780f1
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

[CH3:105][CH2:106][OH:107].[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[Cl:10][c:11]1[n:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12.[OH:1][B:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[cH:28]1[cH:29][cH:30][c:31]([P:32]([Pd:33]([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)([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)([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)[P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([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)[cH:103][cH:104]1>>[c:4]1(-[c:11]2[n:12][cH:13][cH:14][c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]23)[cH:5][cH:6][cH:7][cH:8][cH:9]1