HRID2334993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID8857

Ethyl acetate

C4H8O2

HCID76201

Phthalimide, N-(formylmethyl)-

C10H7NO3

HCID498716

未命名化合物

HCID12490703

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(NCCN1C(=O)c2ccccc2C1=O)C(C)(C)C

HCID178451258

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4eb06ca371b4e99b7626463d6323ecd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21]([CH:22]([NH2:23])[C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28].[C:29]([BH3-:30])#[N:31].[CH3:33][C:34](=[O:35])[OH:36].[CH3:37][OH:38].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH:39]([Cl:40])([Cl:41])[Cl:42].[ClH:15].[Na+:32].[O:1]=[C:2]1[N:3]([CH2:12][CH:13]=[O:14])[C:4](=[O:11])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21>>[O:1]=[C:2]1[N:3]([CH2:12][CH2:13][NH:23][CH:22]([C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:28])[C:24]([CH3:25])([CH3:26])[CH3:27])[C:4](=[O:11])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21