HRID1569017

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：CC(=O)C(=Cc1ccc(F)c(F)c1)CC(=O)OCc1ccccc1

HCID54072301

未命名化合物

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-2180b16bfbd244b49b2b8c93cc172e48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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.[CH3:58][O:59][C:60](=[NH:61])[NH2:62].[F:29][c:30]1[cH:31][c:32]([CH:33]=[C:34]([C:35](=[O:36])[CH3:37])[CH2:38][C:39]([O:40][CH2:41][c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)=[O:48])[cH:49][cH:50][c:51]1[F:52].[Na+:67].[O-:63][C:64]([OH:65])=[O:66].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[S:53]([OH:54])([OH:55])(=[O:56])=[O:57]>>[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