HRID204434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate Ion

CO3-2

HCID3861343

cyclopenten-1-ylboronic acid

C5H9BO2

HCID59395050

2-Bromo-4-tert-butyl-5-nitrophenyl methyl carbonate

C12H14BrNO5

HCID178420554

未命名化合物

PRODUCTS

产物

HCID59395044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-903974976c764748895321b757bd5160
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

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