HRID1574716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3283

Diethyl Ether

C4H10O

HCID10387

Benzyl chloroformate

C8H7ClO2

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-8d7585edfd80486e8de7ce615d614a9c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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