HRID2150500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：COc1cc(CC(=O)Nc2ccc(C3(CC(=O)OC(C)(C)C)CCCC3)cc2)ccc1NC(=O)Nc1ccccc1C

HCID69421103

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CC(=O)Nc2ccc(C3(CC(=O)O)CCCC3)cc2)ccc1NC(=O)Nc1ccccc1C

HCID10279422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a29eb34130544c0945a5465178a80bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][C:8]1([c:13]2[cH:14][cH:15][c:16]([NH:19][C:20]([CH2:21][c:22]3[cH:23][c:24]([O:39][CH3:40])[c:25]([NH:28][C:29](=[O:30])[NH:31][c:32]4[c:33]([CH3:38])[cH:34][cH:35][cH:36][cH:37]4)[cH:26][cH:27]3)=[O:41])[cH:17][cH:18]2)[CH2:9][CH2:10][CH2:11][CH2:12]1)=[O:42].[Cl:43][CH2:44][Cl:45].[OH2:46].[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[O:5]=[C:6]([CH2:7][C:8]1([c:13]2[cH:14][cH:15][c:16]([NH:19][C:20]([CH2:21][c:22]3[cH:23][c:24]([O:39][CH3:40])[c:25]([NH:28][C:29](=[O:30])[NH:31][c:32]4[c:33]([CH3:38])[cH:34][cH:35][cH:36][cH:37]4)[cH:26][cH:27]3)=[O:41])[cH:17][cH:18]2)[CH2:9][CH2:10][CH2:11][CH2:12]1)[OH:42]