HRID1145790

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2734360

4-Hydroxyphenylboronic acid

C6H7BO3

结构：O=S(=O)(O)c1ccc(P(c2ccccc2)c2ccc(S(=O)(=O)O)cc2)cc1

HCID4303689

4,4′-(Phenylphosphinidene)bis[benzenesulfonic acid]

C18H15O6PS2

HCID5462222

Potassium

2 次

结构：CCCN(CCC)C(=O)C1=Cc2ccc(Br)cc2N=C(NC(=O)OC(C)(C)C)C1

HCID46928349

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)C(=O)C1=Cc2ccc(-c3ccc(O)cc3)cc2N=C(NC(=O)OC(C)(C)C)C1

HCID86652679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f50ee11a02fa47b180e5b76eeab09297
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:29]1)[N:7]=[C:8]([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:9][C:10]([C:12]([N:13]([CH2:14][CH2:15][CH3:16])[CH2:17][CH2:18][CH3:19])=[O:20])=[CH:11]2.[CH3:85][CH2:86][OH:87].[K:41].[K:42].[Na+:70].[Na+:71].[O-:72][C:73](=[O:74])[O-:75].[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[OH2:40].[OH:30][c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1.[Pd+2:76].[c:43]1([P:44]([c:45]2[cH:46][cH:47][c:48]([S:49]([OH:50])(=[O:51])=[O:52])[cH:53][cH:54]2)[c:55]2[cH:56][cH:57][c:58]([S:59]([OH:60])(=[O:61])=[O:62])[cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[c:2]1(-[c:34]2[cH:33][cH:32][c:31]([OH:30])[cH:36][cH:35]2)[cH:3][cH:4][c:5]2[c:6]([cH:29]1)[N:7]=[C:8]([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:9][C:10]([C:12]([N:13]([CH2:14][CH2:15][CH3:16])[CH2:17][CH2:18][CH3:19])=[O:20])=[CH:11]2