HRID1571382

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate Ion

CO3-2

HCID68410

2-Methylpropane-1,2-diol

C4H10O2

HCID2733960

Thiophene-2-boronic acid

C4H5BO2S

HCID3262494

5-bromo-2-isopropoxybenzonitrile

C10H10BrNO

HCID178420554

未命名化合物

PRODUCTS

产物

HCID58367285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a5e455d853824079b744de91a29291cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:10][CH:11]([CH3:12])[CH3:13])[c:6]([C:7]#[N:8])[cH:9]1.[C:22](=[O:23])([O-:24])[O-:25].[CH3:28][C:29]([OH:30])([CH3:31])[CH2:32][OH:33].[K+:26].[K+:27].[OH2:34].[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([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)([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([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)[P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([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)[cH:110][cH:111]1.[s:14]1[c:15]([B:19]([OH:20])[OH:21])[cH:16][cH:17][cH:18]1>>[c:2]1(-[c:15]2[s:14][cH:18][cH:17][cH:16]2)[cH:3][cH:4][c:5]([O:10][CH:11]([CH3:12])[CH3:13])[c:6]([C:7]#[N:8])[cH:9]1