HRID1553620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID9886

Hexafluorophosphate ion

F6P-

HCID16976

Nicotinic acid 1-oxide

C6H5NO3

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID14026188

3-{3-[(3-Methylpiperidin-1-yl)methyl]phenoxy}propan-1-amine

C16H26N2O

结构：CN(C)[P+](Oc1cccc2[nH]nnc12)(N(C)C)N(C)C

HCID178486076

未命名化合物

PRODUCTS

生成物

结构：CC1CCCN(Cc2cccc(OCCCNC(=O)c3ccc[n+]([O-])c3)c2)C1

HCID6917813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-089c91c8e7ce492a8ed5f7dbdc8b57fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([c:2]1[cH:3][n+:4]([O-:8])[cH:5][cH:6][cH:7]1)(=[O:9])[OH:10].[CH3:11][N:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][n:18]1)[CH3:19].[CH3:47][CH:48]1[CH2:49][N:50]([CH2:54][c:55]2[cH:56][c:57]([O:58][CH2:59][CH2:60][CH2:61][NH2:62])[cH:63][cH:64][cH:65]2)[CH2:51][CH2:52][CH2:53]1.[CH3:66][C:67]#[N:68].[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[nH:27]1[c:28]2[cH:29][cH:30][cH:31][c:32]([O:33][P+:34]([N:35]([CH3:36])[CH3:37])([N:38]([CH3:39])[CH3:40])[N:41]([CH3:42])[CH3:43])[c:44]2[n:45][n:46]1>>[C:1]([c:2]1[cH:3][n+:4]([O-:8])[cH:5][cH:6][cH:7]1)(=[O:10])[NH:62][CH2:61][CH2:60][CH2:59][O:58][c:57]1[cH:56][c:55]([CH2:54][N:50]2[CH2:49][CH:48]([CH3:47])[CH2:53][CH2:52][CH2:51]2)[cH:65][cH:64][cH:63]1