HRID1543866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl Acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID1810216

3-Isoxazolamine

C3H4N2O

HCID68603332

未命名化合物

PRODUCTS

产物

HCID11996860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-40e2e1cbbdc744de8668c7587fbb32be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH2:49]([Cl:50])[Cl:51].[CH3:1][c:2]1[c:3](-[n:11]2[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([N:22]4[CH2:23][CH2:24][N:25]([CH2:28][CH3:29])[CH2:26][CH2:27]4)[cH:18][c:19]3[c:20]2=[O:21])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[NH2:34][c:35]1[n:36][o:37][cH:38][cH:39]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[S:30]([Cl:31])([Cl:32])=[O:33]>>[CH3:1][c:2]1[c:3](-[n:11]2[cH:12][n:13][c:14]3[cH:15][cH:16][c:17]([N:22]4[CH2:23][CH2:24][N:25]([CH2:28][CH3:29])[CH2:26][CH2:27]4)[cH:18][c:19]3[c:20]2=[O:21])[cH:4][c:5]([C:6](=[O:8])[NH:34][c:35]2[n:36][o:37][cH:38][cH:39]2)[cH:9][cH:10]1