HRID175824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID2724942

未命名化合物

HCID3635758

5,7-Difluoro-2-tetralone

C10H8F2O

HCID85963464

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC1CCc2c(F)cc(F)cc2C1)C(=O)Nc1ncc(C(C)C)s1

HCID178448782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac2d80f57cc14e0cabcfe3c0d222f0e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH3:44][C:45](=[O:46])[OH:47].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH:14]([CH3:15])([CH3:16])[c:17]1[cH:18][n:19][c:20]([NH:22][C:23]([CH:24]([CH2:25][CH2:26][CH3:27])[NH2:28])=[O:29])[s:21]1.[Cl:48][CH2:49][Cl:50].[F:1][c:2]1[c:3]2[c:8]([cH:9][c:10]([F:12])[cH:11]1)[CH2:7][C:6](=[O:13])[CH2:5][CH2:4]2.[Na+:43]>>[F:1][c:2]1[c:3]2[c:8]([cH:9][c:10]([F:12])[cH:11]1)[CH2:7][CH:6]([NH:28][CH:24]([C:23]([NH:22][c:20]1[n:19][cH:18][c:17]([CH:14]([CH3:15])[CH3:16])[s:21]1)=[O:29])[CH2:25][CH2:26][CH3:27])[CH2:5][CH2:4]2