HRID119738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID14853201

2-Amino-2-(4-fluorophenyl)ethan-1-ol

C8H10FNO

HCID178458611

2-Chloro-5-fluoro-6-(5-isopropoxy-1H-pyrazol-3-ylamino)nicotinonitrile

C12H11ClFN5O

PRODUCTS

产物

HCID178458638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d6366e92b39a487fbc28e0dd23d220c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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