HRID93139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7504

Benzylamine

C7H9N

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N1CCN(c2c(F)ccc(F)c2C#N)CC1

HCID58901904

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2c(F)ccc(NCc3ccccc3)c2C#N)CC1

HCID58824126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2dd03dd05d0944b89fc20fffc57aec52
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

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