HRID195693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2756045

tert-Butyl [4-(aminomethyl)cyclohexyl]carbamate

C12H24N2O2

HCID58325043

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2C#N)CC1

HCID59845679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98c04d8032d3428790debc32bdf53eaa
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

[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:1][c:2]1[n:3][c:4]([NH:10][CH2:11][c:12]2[c:13]([O:18][C:19]([F:20])([F:21])[F:22])[cH:14][cH:15][cH:16][cH:17]2)[n:5][cH:6][c:7]1[C:8]#[N:9].[NH2:23][CH2:24][CH:25]1[CH2:26][CH2:27][CH:28]([NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:29][CH2:30]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[c:2]1([NH:23][CH2:24][CH:25]2[CH2:26][CH2:27][CH:28]([NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:29][CH2:30]2)[n:3][c:4]([NH:10][CH2:11][c:12]2[c:13]([O:18][C:19]([F:20])([F:21])[F:22])[cH:14][cH:15][cH:16][cH:17]2)[n:5][cH:6][c:7]1[C:8]#[N:9]