HRID2310572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID668346

5-Bromo-2,4-dimethoxybenzaldehyde

C9H9BrO3

HCID2733960

Thiophene-2-boronic acid

C4H5BO2S

PRODUCTS

生成物

HCID16116183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18d6612d73aa47bb9fea29771735d2e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:12][CH3:13])[cH:4][c:5]([O:10][CH3:11])[c:6]([CH:7]=[O:8])[cH:9]1.[CH3:29][O:30][CH2:31][CH2:32][O:33][CH3:34].[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[OH2:28].[Pd:35].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([P:56]([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)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([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)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([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)[cH:107][cH:108][cH:109][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)[c:3]([O:12][CH3:13])[cH:4][c:5]([O:10][CH3:11])[c:6]([CH:7]=[O:8])[cH:9]1