HRID1148163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID76688

Cyclohexanemethylamine

C7H15N

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：Cc1c(-c2ccccc2)cc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID66725221

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)cc(C(=O)NCC2CCCCC2)c(=O)n1-c1cccc(C(F)(F)F)c1

HCID66725325

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2227d759ee9248ed92c8ea3521d2069d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:69][N:70]1[CH2:71][CH2:72][CH2:73][C:74]1=[O:75].[CH3:9][c:10]1[c:11](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:12][c:13]([C:27](=[O:28])[OH:29])[c:14](=[O:26])[n:15]1-[c:16]1[cH:17][c:18]([C:22]([F:23])([F:24])[F:25])[cH:19][cH:20][cH:21]1.[CH:1]1([CH2:7][NH2:8])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH:1]1([CH2:7][NH:8][C:27]([c:13]2[cH:12][c:11](-[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[c:10]([CH3:9])[n:15](-[c:16]3[cH:17][c:18]([C:22]([F:23])([F:24])[F:25])[cH:19][cH:20][cH:21]3)[c:14]2=[O:26])=[O:28])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1