HRID295703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28179

Fluoride

F-

HCID105144

Palladium(2+)

Pd+2

HCID139377

Methylboronic acid

CH5BO2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：CCc1cc(Br)ccc1N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1

HCID67381335

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C)ccc1N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1

HCID67381016

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a7e7d5ffdc648f99a40263a04e16d8f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH2:24][CH3:25])[c:5]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]3[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1.[C:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH3:26][B:27]([OH:28])[OH:29].[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]([O:46][CH3:47])[cH:48][cH:49][cH:50][c:51]2[O:52][CH3:53])[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1.[F-:59].[K+:60].[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[OH2:70].[Pd+2:65]>>[c:2]1([CH3:26])[cH:3][c:4]([CH2:24][CH3:25])[c:5]([N:8]2[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[c:17]3[cH:18][cH:19][c:20]([CH3:23])[cH:21][cH:22]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1