HRID1564927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

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-66e115560fd742e3bc00c404aaf8685e
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

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