HRID2154779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID28179

Fluoride

F-

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID67194267

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)NC1COCC1Oc1ccc(-c2ccccc2)cc1

HCID76714329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d75741ba642940bb8677bb7b43186cf4
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][cH:4][c:5]([O:6][CH:7]2[CH:8]([NH:12][S:13](=[O:14])(=[O:15])[CH:16]([CH3:17])[CH3:18])[CH2:9][O:10][CH2:11]2)[cH:19][cH:20]1.[CH:30]1([P:31]([CH:32]2[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][c:43]2-[c:44]2[c:45]([CH:46]([CH3:47])[CH3:48])[cH:49][c:50]([CH:51]([CH3:52])[CH3:53])[cH:54][c:55]2[CH:56]([CH3:57])[CH3:58])[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[F-:64].[K+:65].[O-:67][C:68]([CH3:69])=[O:70].[O-:71][C:72]([CH3:73])=[O:74].[OH:21][B:22]([OH:23])[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[Pd+2:66]>>[c:2]1(-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:3][cH:4][c:5]([O:6][CH:7]2[CH:8]([NH:12][S:13](=[O:14])(=[O:15])[CH:16]([CH3:17])[CH3:18])[CH2:9][O:10][CH2:11]2)[cH:19][cH:20]1