HRID297586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)=CCC1CC(C(Cc2ccccc2)NC(=O)OC(C)(C)C)OC1=O

HCID178442110

未命名化合物

结构：CC(CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC1CC2CCC1C2

HCID178450433

未命名化合物

PRODUCTS

生成物

结构：CC(C)=CCC(CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC1CC2CCC1C2

HCID178443751

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-887c65eb1fc14f6ea6e93147184e0dfb
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[CH:16]1[O:17][C:18](=[O:26])[CH:19]([CH2:21][CH:22]=[C:23]([CH3:24])[CH3:25])[CH2:20]1)=[O:27].[CH:28]12[CH:29]([NH:35][C:36](=[O:37])[CH:38]([CH3:39])[CH2:40][CH:41]([OH:42])[CH:43]([NH:44][C:45]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[CH2:52][c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[CH2:30][CH:31]([CH2:32][CH2:33]1)[CH2:34]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[CH:16]([OH:17])[CH2:20][CH:19]([C:18](=[O:26])[NH:35][CH:29]1[CH:28]2[CH2:33][CH2:32][CH:31]([CH2:30]1)[CH2:34]2)[CH2:21][CH:22]=[C:23]([CH3:24])[CH3:25])=[O:27]