HRID2310799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID94459

1-(2-Pyridinyl)piperazine

C9H13N3

结构：CC1=C(c2cccc(C(F)(F)F)c2)n2ncc(C#N)c2N(C(=O)CCl)C1

HCID15101085

未命名化合物

PRODUCTS

生成物

结构：CC1=C(c2cccc(C(F)(F)F)c2)n2ncc(C#N)c2N(C(=O)CN2CCN(c3ccccn3)CC2)C1

HCID15101047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cd1d66809074be59ab9e7153e7d190e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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