HRID1132584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID62421

2,8-Dimethylnonan-5-one

C11H22O

HCID2724942

未命名化合物

结构：CC(C)(C)NC(=O)C(N)Cc1ccc(OCc2ccccc2)cc1

HCID22255921

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)CCC(CCC(C)C)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C

HCID20708499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4eff1396931e40ca994334cc292d3afc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH2:26]([CH2:27][CH:28]([CH3:29])[CH3:30])[C:31](=[O:32])[CH2:33][CH2:34][CH:35]([CH3:36])[CH3:37].[Cl:57][CH2:58][Cl:59].[ClH:1].[NH2:2][CH:3]([C:4](=[O:5])[NH:6][C:7]([CH3:8])([CH3:9])[CH3:10])[CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:16][cH:17]1.[Na+:51].[Na+:56].[O-:52][C:53]([OH:54])=[O:55]>>[ClH:1].[NH:2]([CH:3]([C:4](=[O:5])[NH:6][C:7]([CH3:8])([CH3:9])[CH3:10])[CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:16][cH:17]1)[CH:31]([CH2:26][CH2:27][CH:28]([CH3:29])[CH3:30])[CH2:33][CH2:34][CH:35]([CH3:36])[CH3:37]