HRID1138368

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：CC(C)C(NC(=O)C(C)N(C)C(=O)OCc1ccccc1)C(=O)N1CCC2C1C(Oc1ccccc1)CN2C(=O)OC(C)(C)C

HCID67608890

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(NC(=O)C(C)N(C)C(=O)OCc1ccccc1)C(=O)N1CCC2NCC(Oc3ccccc3)C21

HCID67608270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dbd1b5cbd5841c39ab2c6a16af769c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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