HRID159707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID10387

Benzyl chloroformate

C8H7ClO2

HCID23938

Palladium

HCID178418361

未命名化合物

反应SMILES：CC(c1ccccc1)N1CC(O)C(C)(C(=O)OC(C)(C)C)C1

HCID178436069

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)C1(C)CN(C(=O)OCc2ccccc2)CC1O

HCID77572348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-20a42e0ada9145ecbb010d437e983d76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[C:43].[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[O:36][C:37](=[O:38])[Cl:39].[CH3:40][CH2:41][OH:42].[ClH:23].[H:45][H:46].[Na+:24].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:47].[OH:1][CH:2]1[C:3]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])([CH3:22])[CH2:4][N:5]([CH:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH3:14])[CH2:6]1.[OH:25][C:26](=[O:27])[O-:28].[Pd:44]>>[OH:1][CH:2]1[C:3]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])([CH3:22])[CH2:4][N:5]([C:37]([O:36][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)=[O:38])[CH2:6]1