HRID1561649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID74040

2-Chloro-1-(morpholin-4-yl)ethanone

C6H10ClNO2

HCID166653

Hydride

H-

结构：CC1(C)CC2CC(C)(CN2C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C1

HCID9907515

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC2CC(C)(CN2C(=O)c2ccc(NCC(=O)N3CCOCC3)cc2)C1

HCID59260675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-706f1e720c22408da9f8870bc0e4f87e
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]([O:2][C:3](=[O:4])[NH:7][c:8]1[cH:9][cH:10][c:11]([C:14](=[O:15])[N:16]2[CH:17]3[CH2:18][C:19]([CH3:25])([CH3:26])[CH2:20][C:21]([CH3:24])([CH2:22]2)[CH2:23]3)[cH:12][cH:13]1)([CH3:5])([CH3:6])[CH3:27].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl:30][CH2:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[H-:28].[Na+:29].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[NH:7]([c:8]1[cH:9][cH:10][c:11]([C:14](=[O:15])[N:16]2[CH:17]3[CH2:18][C:19]([CH3:25])([CH3:26])[CH2:20][C:21]([CH3:24])([CH2:22]2)[CH2:23]3)[cH:12][cH:13]1)[CH2:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1