HRID293670

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID7972

4-Methylmorpholine

C5H11NO

HCID67468638

未命名化合物

HCID67469135

未命名化合物

PRODUCTS

产物

HCID67468520

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-31a269bd987842108f2df583b5a1c0d3
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

[Br:28][c:29]1[cH:30][c:31]([C:41]([OH:42])=[O:43])[c:32]2[cH:33][cH:34][n:35]([CH:38]([CH3:39])[CH3:40])[c:36]2[cH:37]1.[CH2:1]([CH3:2])[NH:3][c:4]1[c:5]([CH2:12][NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[c:6](=[O:11])[nH:7][c:8]([CH3:10])[cH:9]1.[CH2:51]([Cl:52])[CH2:53][Cl:54].[CH3:44][N:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[Cl:56][CH2:57][Cl:58].[F:21][C:22]([F:23])([F:24])[C:25]([OH:26])=[O:27].[OH2:55]>>[CH2:1]([CH3:2])[NH:3][c:4]1[c:5]([CH2:12][NH:13][C:14](=[O:20])[c:31]2[cH:30][c:29]([Br:28])[cH:37][c:36]3[c:32]2[cH:33][cH:34][n:35]3[CH:38]([CH3:39])[CH3:40])[c:6](=[O:11])[nH:7][c:8]([CH3:10])[cH:9]1