HRID1231940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID31374

Dimethylacetamide

C4H9NO

HCID166653

Hydride

H-

HCID44190463

6,6-Dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4H-indazol-4-one

C10H11F3N2O

HCID66952735

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(=O)c2c(C(F)(F)F)nn(-c3ccc(C#N)c(NCC(O)CO)c3)c2C1

HCID66952936

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26e6398964ba4fffa34efdf96d704192
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:36]([N:37]([CH3:38])[CH3:39])(=[O:40])[CH3:41].[CH3:1][C:2]1([CH3:16])[CH2:3][C:4](=[O:15])[c:5]2[c:6]([C:11]([F:12])([F:13])[F:14])[n:7][nH:8][c:9]2[CH2:10]1.[Cl-:34].[H-:18].[NH4+:35].[Na+:17].[OH:19][CH:20]([CH2:21][NH:22][c:23]1[c:24]([C:25]#[N:26])[cH:27][cH:28][c:29]([F:31])[cH:30]1)[CH2:32][OH:33]>>[CH3:1][C:2]1([CH3:16])[CH2:3][C:4](=[O:15])[c:5]2[c:6]([C:11]([F:12])([F:13])[F:14])[n:7][n:8](-[c:29]3[cH:28][cH:27][c:24]([C:25]#[N:26])[c:23]([NH:22][CH2:21][CH:20]([OH:19])[CH2:32][OH:33])[cH:30]3)[c:9]2[CH2:10]1