HRID110872

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+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID111314

DL-Alanine methyl ester

C4H9NO2

HCID20315571

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)NC(=O)CCc1ccc(C(=O)CCl)cc1

HCID20315591

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dfc33bd4dc2c45a689ed3fcf36807338
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]([Cl:2])(=[O:3])[C:4]([CH3:5])([CH3:6])[CH3:7].[C:31](=[O:32])([OH:33])[O-:34].[CH3:24][O:25][C:26]([CH:27]([NH2:28])[CH3:29])=[O:30].[CH3:41][C:42]#[N:43].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[Cl:8][CH2:9][C:10](=[O:11])[c:12]1[cH:13][cH:14][c:15]([CH2:18][CH2:19][C:20](=[O:21])[OH:22])[cH:16][cH:17]1.[ClH:23].[Na+:35].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1>>[Cl:8][CH2:9][C:10](=[O:11])[c:12]1[cH:13][cH:14][c:15]([CH2:18][CH2:19][C:20](=[O:22])[NH:28][CH:27]([C:26]([O:25][CH3:24])=[O:30])[CH3:29])[cH:16][cH:17]1