HRID152070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID7914

Isopropyl ether

C6H14O

HCID828291

未命名化合物

HCID4374262

2-hydroxymethylphenylboronic acid

C7H9BO3

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：OCc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)cn2c1

HCID67046191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45c2ab67f541446ab86f4ecd6adfed04
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

[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[cH:8][c:9](-[c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[n:10]2.[C:32](=[O:33])([O-:34])[OH:35].[CH3:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[CH3:29][C:30]#[N:31].[CH:37]([O:38][CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Na+:36].[OH:18][CH2:19][c:20]1[c:21]([B:26]([OH:27])[OH:28])[cH:22][cH:23][cH:24][cH:25]1.[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[c:2]1(-[c:21]2[c:20]([CH2:19][OH:18])[cH:25][cH:24][cH:23][cH:22]2)[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[cH:8][c:9](-[c:11]1[cH:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]1)[n:10]2