HRID693497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)N1CC(Oc2ccc(F)c(F)c2)C2C1CCN2C(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C

HCID67607439

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC2NCC(Oc3ccc(F)c(F)c3)C21

HCID67608719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13e74a6957964497b2a12afefce9019f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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