HRID321387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24386

Thionyl chloride

Cl2OS

HCID31374

Dimethylacetamide

C4H9NO

HCID11182936

6-amino-4-methyl-2,3-benzoxazin-1-one

C9H8N2O2

结构：O=C(O)C(=O)CC1(c2cccc(C(F)(F)F)c2)CC1

HCID69303954

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(=O)c2ccc(NC(=O)C(=O)CC3(c4cccc(C(F)(F)F)c4)CC3)cc12

HCID69303605

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-357086c9c24644efa322f79e94bba9e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:37]([N:38]([CH3:39])[CH3:40])(=[O:41])[CH3:42].[F:5][C:6]([c:7]1[cH:8][c:9]([C:13]2([CH2:16][C:17]([C:18](=[O:19])[OH:20])=[O:21])[CH2:14][CH2:15]2)[cH:10][cH:11][cH:12]1)([F:22])[F:23].[NH2:24][c:25]1[cH:26][cH:27][c:28]2[c:29]([c:30]([CH3:35])[n:31][o:32][c:33]2=[O:34])[cH:36]1.[S:1]([Cl:2])([Cl:3])=[O:4]>>[F:5][C:6]([c:7]1[cH:8][c:9]([C:13]2([CH2:16][C:17]([C:18](=[O:20])[NH:24][c:25]3[cH:26][cH:27][c:28]4[c:29]([c:30]([CH3:35])[n:31][o:32][c:33]4=[O:34])[cH:36]3)=[O:21])[CH2:14][CH2:15]2)[cH:10][cH:11][cH:12]1)([F:22])[F:23]