HRID932621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID9886

Hexafluorophosphate ion

F6P-

HCID31374

Dimethylacetamide

C4H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：O=C(O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1

HCID25131906

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCNCC1

HCID25132612

4-{[3-(Piperazine-1-carbonyl)phenyl]methyl}phthalazin-1(2H)-one

C20H20N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7321b796d58944f4be425012831e26cf
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:69][CH2:70][OH:71].[CH3:73][C:74]([N:75]([CH3:76])[CH3:77])=[O:78].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[ClH:68].[N:22]1([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1.[O:1]=[c:2]1[nH:3][n:4][c:5]([CH2:12][c:13]2[cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20][cH:21]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[OH2:72].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[O:1]=[c:2]1[nH:3][n:4][c:5]([CH2:12][c:13]2[cH:14][c:15]([C:16](=[O:18])[N:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[cH:19][cH:20][cH:21]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12