HRID694755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID9321

Hydrazine

H4N2

HCID11358

Benzene, 1-bromo-2-methoxy-

C7H7BrO

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

PRODUCTS

生成物

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

HCID67122844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d592091f8c94662a04057ddec42b911
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

[Br:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[O:8][CH3:9].[C:10](=[O:11])([O-:12])[O-:13].[CH2:66]1[O:67][CH2:68][CH2:69][O:70][CH2:71]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:64][OH:65].[CH:16]1([P:22]([c:23]2[c:24](-[c:29]3[c:30]([O:37][CH3:38])[cH:31][cH:32][cH:33][c:34]3[O:35][CH3:36])[cH:25][cH:26][cH:27][cH:28]2)[CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1.[Cs+:14].[Cs+:15].[NH2:46][NH2:47].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[OH2:45].[OH2:63].[Pd+2:48]>>[O:8]=[P:22]([CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1)([c:23]1[c:24](-[c:29]2[c:30]([O:37][CH3:38])[cH:31][cH:32][cH:33][c:34]2[O:35][CH3:36])[cH:25][cH:26][cH:27][cH:28]1)[CH:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1