HRID2128017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6416

3,3-Dimethyl-2-butanone

C6H12O

HCID8028

Tetrahydrofuran

C4H8O

HCID2826723

azanide

H2N-

HCID5360545

Sodium

反应SMILES：CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C

HCID10938462

ETHYL 5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-4-METHYL-1H-PYRAZOLE-3-CARBOXYLATE

C19H15Cl3N2O2

PRODUCTS

产物

反应SMILES：Cc1c(C(=O)C=C(O)C(C)(C)C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

HCID178429090

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-59db265064744f21965757c7244d073f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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