HRID114950

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

HCID8003

Pentane

C5H12

结构：COc1cc(CC(=O)N(C)c2ccc(C3(CC(=O)OC(C)(C)C)CCCC3)cc2)ccc1NC(=O)Nc1ccccc1C

HCID69420098

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CC(=O)N(C)c2ccc(C3(CC(=O)O)CCCC3)cc2)ccc1NC(=O)Nc1ccccc1C

HCID21077916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c364b57bea57495f9a2a47ae5445123b
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][C:8]1([c:13]2[cH:14][cH:15][c:16]([N:19]([CH3:20])[C:21]([CH2:22][c:23]3[cH:24][c:25]([O:40][CH3:41])[c:26]([NH:29][C:30](=[O:31])[NH:32][c:33]4[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]4)[cH:27][cH:28]3)=[O:42])[cH:17][cH:18]2)[CH2:9][CH2:10][CH2:11][CH2:12]1)=[O:43].[CH3:55][CH2:56][CH2:57][CH2:58][CH3:59].[Cl:51][CH2:52][Cl:53].[OH2:54].[OH:44][C:45]([C:46]([F:47])([F:48])[F:49])=[O:50]>>[O:5]=[C:6]([CH2:7][C:8]1([c:13]2[cH:14][cH:15][c:16]([N:19]([CH3:20])[C:21]([CH2:22][c:23]3[cH:24][c:25]([O:40][CH3:41])[c:26]([NH:29][C:30](=[O:31])[NH:32][c:33]4[c:34]([CH3:39])[cH:35][cH:36][cH:37][cH:38]4)[cH:27][cH:28]3)=[O:42])[cH:17][cH:18]2)[CH2:9][CH2:10][CH2:11][CH2:12]1)[OH:43]