HRID198654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID21867017

O-[2-(Ethenyloxy)ethyl]hydroxylamine

C4H9NO2

反应SMILES：Cc1cnnc2c(F)c(Nc3ccc(Cl)cc3Cl)c(C(=O)O)cc12

HCID68637811

未命名化合物

PRODUCTS

产物

反应SMILES：C=COCCONC(=O)c1cc2c(C)cnnc2c(F)c1Nc1ccc(Cl)cc1Cl

HCID86598638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-388ce0eea9be49cf8fc0b8402dde1b95
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

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