HRID190394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID76310

2-Aminoindane

C9H11N

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：COC(=O)C1CCOc2cc(Oc3ccc(C(=O)O)cc3)c(C#N)cc21

HCID46221108

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCOc2cc(Oc3ccc(C(=O)NC4Cc5ccccc5C4)cc3)c(C#N)cc21

HCID67080302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaad0ae4b55e4570aa56e0ad8e01fe24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]1)[O:9][CH2:8][CH2:7][CH:6]2[C:23](=[O:24])[O:25][CH3:26].[CH3:70][N:71]1[CH2:72][CH2:73][CH2:74][C:75]1=[O:76].[CH3:77][N:78]([c:79]1[cH:80][cH:81][n:82][cH:83][cH:84]1)[CH3:85].[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[NH2:51][CH:52]1[CH2:53][c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[CH2:60]1.[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:10]([cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:20])[NH:51][CH:52]3[CH2:53][c:54]4[cH:55][cH:56][cH:57][cH:58][c:59]4[CH2:60]3)[cH:21][cH:22]1)[O:9][CH2:8][CH2:7][CH:6]2[C:23](=[O:24])[O:25][CH3:26]