HRID2150164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID28123

Tetrahydroborate

H4B-

HCID3372378

未命名化合物

结构：CC(C)(C)C(=O)C(=Cc1ccc(Cl)cc1)n1cncn1

HCID54022817

未命名化合物

PRODUCTS

生成物

HCID91737

1-(4-Chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol

C15H18ClN3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-beaf4d78509a4d42800b997cc6f082c1
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

[BH4-:25].[CH2:47]([Cl:48])[Cl:49].[CH3:21][C:22](=[O:23])[OH:24].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH:55]([Cl:56])([Cl:57])[Cl:58].[Cl:27][c:28]1[cH:29][cH:30][c:31]([CH:34]=[C:35]([C:36]([C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[n:42]2[n:43][cH:44][n:45][cH:46]2)[cH:32][cH:33]1.[NH2:1][CH:2]([CH2:3][CH:4]([CH3:5])[CH3:6])[C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[OH:20].[Na+:26]>>[Cl:27][c:28]1[cH:29][cH:30][c:31]([CH:34]=[C:35]([CH:36]([C:37]([CH3:38])([CH3:39])[CH3:40])[OH:41])[n:42]2[n:43][cH:44][n:45][cH:46]2)[cH:32][cH:33]1