HRID1229808

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID6331

Borane

H3B

HCID8028

Tetrahydrofuran

C4H8O

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-87503551b6d04bf1aa7e9ec4f4d3f182
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

[BH3:26].[CH:47]([Cl:48])([Cl:49])[Cl:50].[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].[O:21]1[CH2:22][CH2:23][CH2:24][CH2:25]1>>[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