HRID302050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID25332

2-Aminoadamantane

C10H17N

HCID81531

Diisopropylethylamine

C8H19N

HCID1482039

1-tert-Butyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

C9H11F3N2O2

PRODUCTS

生成物

结构：CC(C)(C)n1ncc(C(=O)NC2C3CC4CC(C3)CC2C4)c1C(F)(F)F

HCID25013544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c1761ffc7dd4798a23995e69f88e8ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][cH:7][c:8]([C:14](=[O:15])[OH:16])[c:9]1[C:10]([F:11])([F:12])[F:13].[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[Cl:39][CH2:40][Cl:41].[ClH:26].[NH2:27][CH:28]1[CH:29]2[CH2:30][CH:31]3[CH2:32][CH:33]([CH2:34][CH:35]1[CH2:36]3)[CH2:37]2.[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[n:6][cH:7][c:8]([C:14](=[O:16])[NH:27][CH:28]2[CH:29]3[CH2:30][CH:31]4[CH2:32][CH:33]([CH2:34][CH:35]2[CH2:36]4)[CH2:37]3)[c:9]1[C:10]([F:11])([F:12])[F:13]