HRID696550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID263

1-Butanol

C4H10O

HCID813

Potassium cation

K+

2 次

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

结构：N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccc(Br)cc3C(F)(F)F)CC2OC2CCOCC2)CC1

HCID72340461

未命名化合物

PRODUCTS

生成物

结构：N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccccc3C(F)(F)F)CC2OC2CCOCC2)CC1

HCID72340423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-459496c2813e4d44a75fd9c79b09d552
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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