HRID196729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID597250

2,4-Dimethoxybenzylamine

C9H13NO2

反应SMILES：COC(=O)CC(c1c(Cl)ncnc1Cl)C(F)(F)F

HCID86666569

未命名化合物

反应SMILES：COC(=O)CC(c1c(Cl)ncnc1NCc1ccc(OC)cc1OC)C(F)(F)F

HCID86666570

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(CN2C(=O)CC(C(F)(F)F)c3c(Cl)ncnc32)c(OC)c1

HCID86666568

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ea45ea6d58344be0a4e048de5fe60790
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH3:19][O:20][c:21]1[cH:22][c:23]([O:24][CH3:25])[cH:26][cH:27][c:28]1[CH2:29][NH2:30].[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[Cl:1][c:2]1[c:3]([CH:4]([C:5]([F:6])([F:7])[F:8])[CH2:9][C:10]([O:11][CH3:12])=[O:13])[c:14]([Cl:15])[n:16][cH:17][n:18]1.[Cl:36][c:37]1[n:38][cH:39][n:40][c:41]([NH:53][CH2:54][c:55]2[c:56]([O:63][CH3:64])[cH:57][c:58]([O:61][CH3:62])[cH:59][cH:60]2)[c:42]1[CH:43]([CH2:44][C:45]([O:47][CH3:46])=[O:48])[C:49]([F:50])([F:51])[F:52].[OH2:65]>>[Cl:36][c:37]1[n:38][cH:39][n:40][c:41]2[c:42]1[CH:43]([C:49]([F:50])([F:51])[F:52])[CH2:44][C:45](=[O:47])[N:53]2[CH2:54][c:55]1[c:56]([O:63][CH3:64])[cH:57][c:58]([O:61][CH3:62])[cH:59][cH:60]1