HRID1228554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID22182400

1-[(3,5-Difluorophenyl)methyl]piperidin-4-amine

C12H16F2N2

HCID59253659

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C#N)nnc(NC2CCN(Cc3cc(F)cc(F)c3)CC2)c1C

HCID59253656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-150c44f3d50a41f2b17ecdb45661ddb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:43][C:44]#[N:45].[CH:28]([N:29]([CH:30]([CH3:31])[CH3:32])[CH2:33][CH3:34])([CH3:35])[CH3:36].[Cl:1][c:2]1[c:3]([CH3:11])[c:4]([CH3:10])[c:5]([C:8]#[N:9])[n:6][n:7]1.[Cl:47][CH2:48][Cl:49].[F:12][c:13]1[cH:14][c:15]([CH2:16][N:17]2[CH2:18][CH2:19][CH:20]([NH2:23])[CH2:21][CH2:22]2)[cH:24][c:25]([F:27])[cH:26]1.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[OH2:46]>>[c:2]1([NH:23][CH:20]2[CH2:19][CH2:18][N:17]([CH2:16][c:15]3[cH:14][c:13]([F:12])[cH:26][c:25]([F:27])[cH:24]3)[CH2:22][CH2:21]2)[c:3]([CH3:11])[c:4]([CH3:10])[c:5]([C:8]#[N:9])[n:6][n:7]1