HRID676835

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID288946

ethyl 3-(benzylamino)-3-methylbutanoate

C14H21NO2

结构：CCOC(=O)c1cc2c(C(=O)CCl)ccc(O)c2[nH]1

HCID13243454

Ethyl 4-(chloroacetyl)-7-hydroxy-1H-indole-2-carboxylate

C13H12ClNO4

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCOC(=O)CC(C)(C)N(CC(=O)c1ccc(O)c2[nH]c(C(=O)OCC)cc12)Cc1ccccc1

HCID53963828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abb1441e88ed4796b84ce379d01ee5cb
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

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