HRID701874

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

HCID2724942

未命名化合物

HCID2782899

4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbaldehyde

C12H8F3NOS

HCID54187007

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1ccc(NCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C

HCID69469495

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39fac529e02c4b70b2e03542a4c841b1
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:37]([O:38][BH-:39]([O:40][C:41](=[O:42])[CH3:43])[O:44][C:45](=[O:46])[CH3:47])(=[O:48])[CH3:49].[CH3:15][c:16]1[n:17][c:18](-[c:23]2[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]2)[s:19][c:20]1[CH:21]=[O:22].[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:13])[cH:8][c:9]([NH2:12])[cH:10][cH:11]1)=[O:14].[CH3:33][C:34](=[O:35])[OH:36].[Cl:51][CH2:52][Cl:53].[Na+:50]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:13])[cH:8][c:9]([NH:12][CH2:21][c:20]2[c:16]([CH3:15])[n:17][c:18](-[c:23]3[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]3)[s:19]2)[cH:10][cH:11]1)=[O:14]