HRID188102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28123

Tetrahydroborate

H4B-

HCID3372378

未命名化合物

HCID56609707

1-Cyclohexyl-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one

C15H23N3O

PRODUCTS

生成物

HCID114814

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1ef9533b71b4d90a8ae0f9a52f595d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[BH4-:22].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[CH:24]1([CH:30]=[C:31]([C:32]([C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[n:38]2[n:39][cH:40][n:41][cH:42]2)[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[Cl:44][CH2:45][CH2:46][Cl:47].[ClH:1].[ClH:43].[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+:23]>>[CH:24]1([CH:30]=[C:31]([CH:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[OH:37])[n:38]2[n:39][cH:40][n:41][cH:42]2)[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1