HRID666346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID20884

Acetic acid, chlorooxo-, ethyl ester

C4H5ClO3

结构：CCOC(=O)C(C)CC(N)Cc1ccc(-c2ccccc2)cc1

HCID57004314

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=O)NC(Cc1ccc(-c2ccccc2)cc1)CC(C)C(=O)OCC

HCID72337403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce3d2ec168ab430683b48dbf4f36dd17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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