HRID156158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate Ion

CO3-2

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

HCID95062

1,3-Benzodioxole-5-carboxaldehyde, 6-bromo- (9CI)

C8H5BrO3

HCID178420554

未命名化合物

PRODUCTS

产物

HCID86642873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4a86c3ef3841415dbca1159af3ee3abb
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[c:3]([CH:11]=[O:12])[cH:4][c:5]2[c:6]([cH:10]1)[O:7][CH2:8][O:9]2.[C:23](=[O:24])([O-:25])[O-:26].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:36][OH:37].[Cl:13][c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1.[Na+:27].[Na+:28].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([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)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([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)[cH:113][cH:114]1>>[c:2]1(-[c:17]2[cH:16][cH:15][c:14]([Cl:13])[cH:19][cH:18]2)[c:3]([CH:11]=[O:12])[cH:4][c:5]2[c:6]([cH:10]1)[O:7][CH2:8][O:9]2