HRID153207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID17039527

3-[(2H-1,3-Benzodioxol-5-yl)methyl]piperidine

C13H17NO2

HCID68451897

4-(4-Acryloylpiperazin-1-yl)-2-fluorobenzonitrile

C14H14FN3O

PRODUCTS

生成物

结构：N#Cc1ccc(N2CCN(C(=O)CCN3CCCC(Cc4ccc5c(c4)OCO5)C3)CC2)cc1F

HCID12000651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfdb8a840cec41e78538513299cf63dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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