HRID174427

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 Ion

CO3-2

HCID97249

Benzonitrile, 3-(bromomethyl)-

C8H6BrN

HCID4198740

2-BENZYLOXY-5-CHLOROPHENYLBORONIC ACID

C13H12BClO3

HCID178420554

未命名化合物

PRODUCTS

产物

HCID66996109

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c682d556b8614ce7aea365a59ab6029a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[C:19](#[N:20])[c:21]1[cH:22][c:23]([CH2:24][Br:25])[cH:26][cH:27][cH:28]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([B:16]([OH:17])[OH:18])[cH:11][c:12]([Cl:15])[cH:13][cH:14]1.[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[Na+:29].[Na+:30].[O-:31][C:32](=[O:33])[O-:34].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([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)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([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)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:24][c:23]2[cH:22][c:21]([C:19]#[N:20])[cH:28][cH:27][cH:26]2)[cH:11][c:12]([Cl:15])[cH:13][cH:14]1