HRID281268

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：COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCC(=O)Nc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)C1c1ccc(F)cc1

HCID57526947

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCC(=O)Nc2cccc(C3CCNCC3)c2)C1c1ccc(F)cc1

HCID57526933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c8ef90a3cf34a0bac2b184e607f1ff2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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