HRID1132985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID16244015

1-(Cyclopropylmethyl)piperidine-4-carboxylic acid

C10H17NO2

结构：Cn1ncc2c1Nc1ccccc1N(C(=O)c1ccc(CN)cc1F)C2

HCID136128418

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc2c1Nc1ccccc1N(C(=O)c1ccc(CNC(=O)C3CCN(CC4CC4)CC3)cc1F)C2

HCID136128430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2538fc59f074459696377b0e1946f3b2
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

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