HRID1553652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID962

Water

H2O

HCID81531

Diisopropylethylamine

C8H19N

HCID123063

1-(4-Fluorophenyl)ethan-1-amine

C8H10FN

结构：N#Cc1c(Cl)nc(Nc2cc(C3CC3)[nH]n2)c(F)c1I

HCID86620615

2-Chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoro-4-iodo-3-pyridinecarbonitrile

C12H8ClFIN5

PRODUCTS

生成物

结构：CC(Nc1nc(Nc2cc(C3CC3)[nH]n2)c(F)c(I)c1C#N)c1ccc(F)cc1

HCID67456777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a621d13c30444a09d1b960b236b85e7
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

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