HRID830124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2064235

Cyclopropyl(1-piperazinyl)methanone

C8H14N2O

结构：O=C(O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F

HCID24811740

2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid

C16H11FN2O3

PRODUCTS

生成物

结构：O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1

HCID23725625

Olaparib

C24H23FN4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0831f17881d4cc69957031847b84f0d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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