HRID312947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID69828

Cyclopropanamine

C3H7N

结构：CC(Oc1cc(-n2cnc3cc(COS(C)(=O)=O)ncc32)sc1C(N)=O)c1ccccc1C(F)(F)F

HCID86647117

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1cc(-n2cnc3cc(CNC4CC4)ncc32)sc1C(N)=O)c1ccccc1C(F)(F)F

HCID178466888

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3c2eb66ad4846d3a9db84899f01a7fd
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

[CH3:1][S:2]([O:3][CH2:6][c:7]1[cH:8][c:9]2[c:10]([cH:11][n:12]1)[n:13](-[c:16]1[s:17][c:18]([C:34]([NH2:35])=[O:36])[c:19]([O:21][CH:22]([CH3:23])[c:24]3[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]3)[cH:20]1)[cH:14][n:15]2)(=[O:4])=[O:5].[CH:37]1([NH2:40])[CH2:38][CH2:39]1.[Cl:41][CH2:42][Cl:43]>>[CH2:6]([c:7]1[cH:8][c:9]2[c:10]([cH:11][n:12]1)[n:13](-[c:16]1[s:17][c:18]([C:34]([NH2:35])=[O:36])[c:19]([O:21][CH:22]([CH3:23])[c:24]3[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]3)[cH:20]1)[cH:14][n:15]2)[NH:40][CH:37]1[CH2:38][CH2:39]1