HRID665876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1118

Sulfuric acid

H2O4S

HCID6228

Dimethylformamide

C3H7NO

HCID75544

O-Methylisourea methyl carbamimidate

C2H6N2O

反应SMILES：CCC1=C(C(=O)OCc2ccccc2)C(c2ccc(F)c(F)c2)NC(OC)=N1

HCID178436962

未命名化合物

PRODUCTS

产物

反应SMILES：COC1=NC(C)=C(C(=O)OCc2ccccc2)C(c2ccc(F)c(F)c2)N1

HCID178494183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f847a916c41140c890fe6211fbff46e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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