HRID2162359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

5 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734360

4-Hydroxyphenylboronic acid

C6H7BO3

结构：O=S(=O)([O-])c1cccc(P(c2cccc(S(=O)(=O)[O-])c2)c2cccc(S(=O)(=O)[O-])c2)c1

HCID3675707

未命名化合物

HCID23395536

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CC=C(c2ccc(O)cc2)CNC1=O)OCc1ccccc1

HCID178521880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3f264374d7d43feb641aea9f4897e8f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][C:2]1=[CH:3][CH2:4][CH:5]([NH:10][C:11]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[C:6](=[O:9])[NH:7][CH2:8]1.[C:77]([O-:78])(=[O:79])[CH3:80].[C:82]([O-:83])(=[O:84])[CH3:85].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[Na+:31].[Na+:32].[Na+:68].[Na+:69].[Na+:70].[O-:33][C:34](=[O:35])[O-:36].[OH2:76].[OH:21][c:22]1[cH:23][cH:24][c:25]([B:28]([OH:29])[OH:30])[cH:26][cH:27]1.[Pd+2:81].[S:37]([c:38]1[cH:39][c:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][c:46]([S:47]([O-:48])(=[O:49])=[O:50])[cH:51]2)[c:52]2[cH:53][c:54]([S:55]([O-:56])(=[O:57])=[O:58])[cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64]1)([O-:65])(=[O:66])=[O:67]>>[C:2]1([c:25]2[cH:24][cH:23][c:22]([OH:21])[cH:27][cH:26]2)=[CH:3][CH2:4][CH:5]([NH:10][C:11]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[C:6](=[O:9])[NH:7][CH2:8]1