HRID169270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID2724942

未命名化合物

HCID26119064

未命名化合物

HCID50986573

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccncc1CN1CCC(N(C(=O)OC(C)(C)C)C(C)C)CC1

HCID67429619

Carbamic acid, [1-[(4-methoxy-3-pyridinyl)methyl]-4-piperidinyl](1-methylethyl)-, 1,1-dimethylethyl ester

C20H33N3O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a9adb8b0a77f42819d9702ac96a17306
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH3:10])[CH3:11])[CH:12]1[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1.[C:29]([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])(=[O:40])[CH3:41].[CH3:18][O:19][c:20]1[c:21]([C:26]([O-:27])=[O:28])[cH:22][n:23][cH:24][cH:25]1.[CH3:43][C:44](=[O:45])[OH:46].[Cl:47][CH:48]([Cl:49])[CH3:50].[Na+:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH3:10])[CH3:11])[CH:12]1[CH2:13][CH2:14][N:15]([CH2:26][c:21]2[c:20]([O:19][CH3:18])[cH:25][cH:24][n:23][cH:22]2)[CH2:16][CH2:17]1