HRID2135632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID178438991

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

HCID178444995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-140990bab44f4b048312ca44e493bc6a
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]([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:24])[CH:19]([CH2:21][C:22]#[CH:23])[CH2:20]1)=[O:25].[CH:26]12[CH:27]([NH:33][C:34](=[O:35])[CH:36]([CH3:37])[CH2:38][CH:39]([OH:40])[CH:41]([NH:42][C:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49])[CH2:50][c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[CH2:28][CH:29]([CH2:30][CH2:31]1)[CH2:32]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:24])[NH:33][CH:27]1[CH:26]2[CH2:31][CH2:30][CH:29]([CH2:28]1)[CH2:32]2)[CH2:21][C:22]#[CH:23])=[O:25]