HRID2153325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2C(=O)OC(C)(C)C)c(F)c1

HCID68806873

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCCN2)c(F)c1

HCID86601536

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6ef22113c7247dc97ce1e703b54d82d
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]([O:2][C:3](=[O:4])[N:8]1[CH:9]([C:13]([NH:14][c:15]2[c:16]([F:35])[cH:17][c:18](-[c:21]3[c:22]([S:27]([NH:28][C:29]([CH3:30])([CH3:31])[CH3:32])(=[O:33])=[O:34])[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)=[O:36])[CH2:10][CH2:11][CH2:12]1)([CH3:5])([CH3:6])[CH3:7].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[Cl:44][CH2:45][Cl:46].[OH:37][C:38]([C:39]([F:40])([F:41])[F:42])=[O:43]>>[NH:8]1[CH:9]([C:13]([NH:14][c:15]2[c:16]([F:35])[cH:17][c:18](-[c:21]3[c:22]([S:27]([NH:28][C:29]([CH3:30])([CH3:31])[CH3:32])(=[O:33])=[O:34])[cH:23][cH:24][cH:25][cH:26]3)[cH:19][cH:20]2)=[O:36])[CH2:10][CH2:11][CH2:12]1