HRID1219421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID4837

Piperazine

C4H10N2

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID28179

Fluoride

F-

结构：CC(c1c(F)cc2ncccc2c1F)c1cnc2ccc(Cl)nn12

HCID58147541

未命名化合物

PRODUCTS

生成物

结构：CC(c1c(F)cc2ncccc2c1F)c1cnc2ccc(N3CCNCC3)nn12

HCID50914336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-001784ae24cf49588ddf3d87d69d697e
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

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