HRID151981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9845

Trifluoroacetic anhydride

C4F6O3

结构：COC(=O)C(NC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1)C(C)O

HCID178501563

未命名化合物

PRODUCTS

生成物

HCID178501562

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be5ccde9ced440aabbbc33026caa45e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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