HRID116425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)c1cccc(NC(=O)NC2CN(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

HCID21201700

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)CN1C(=O)C(NC(=O)Nc2cccc(C(=O)O)c2)CN(C2CCCCC2)c2ccccc21

HCID22709424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cf6cace51a943a58639ccb94c341c17
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:8]([CH3:9])([CH3:10])([CH3:11])[C:12](=[O:13])[CH2:14][N:15]1[C:16](=[O:49])[CH:17]([NH:32][C:33](=[O:34])[NH:35][c:36]2[cH:37][c:38]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[cH:39][cH:40][cH:41]2)[CH2:18][N:19]([CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[c:20]2[c:21]1[cH:22][cH:23][cH:24][cH:25]2.[CH2:50]([Cl:51])[Cl:52].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[C:12](=[O:13])[CH2:14][N:15]1[C:16](=[O:49])[CH:17]([NH:32][C:33](=[O:34])[NH:35][c:36]2[cH:37][c:38]([C:42](=[O:43])[OH:44])[cH:39][cH:40][cH:41]2)[CH2:18][N:19]([CH:26]2[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]2)[c:20]2[c:21]1[cH:22][cH:23][cH:24][cH:25]2