HRID88897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6340

Ethane, iodo-

C2H5I

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：CC(c1ccccc1)N1CC(C2(NC(=O)OC(C)(C)C)CC2)CC1=O

HCID67271664

未命名化合物

PRODUCTS

生成物

结构：CCN(C(=O)OC(C)(C)C)C1(C2CC(=O)N(C(C)c3ccccc3)C2)CC1

HCID67271864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f214fbe40ccf475cb1d232acb513f363
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1([CH:12]2[CH2:13][C:14](=[O:25])[N:15]([CH:17]([CH3:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:16]2)[CH2:10][CH2:11]1.[CH2:28]([CH3:29])[I:30].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[Cl-:31].[H-:26].[NH4+:32].[Na+:27]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([C:9]1([CH:12]2[CH2:13][C:14](=[O:25])[N:15]([CH:17]([CH3:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:16]2)[CH2:10][CH2:11]1)[CH2:28][CH3:29]