HRID826345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

结构：CN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3cc(F)c(C(=O)O)cc3F)ncc21

HCID58015047

未命名化合物

结构：CN(C)C(N(C)C)=[N+]1N=[N+]([O-])c2ccccc21

HCID178484288

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(NC(=O)c2cc(F)c(Nc3ncc4c(n3)N(C3CCCC3)CC(F)(F)C(=O)N4C)cc2F)CC1

HCID58015050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-395dcf331425437f8810fee45c9c11a0
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

[CH3:50][N:51]([C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]1[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[N+:63]([O-:64])=[N:65]1)[CH3:66].[CH3:84][N:85]([CH3:86])[CH:87]=[O:88].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[cH:23][c:24]([F:32])[c:25]([C:26](=[O:27])[OH:28])[cH:29][c:30]4[F:31])[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:67]([N:68]([CH:69]([CH3:70])[CH3:71])[CH2:72][CH3:73])([CH3:74])[CH3:75].[NH2:76][CH:77]1[CH2:78][CH2:79][N:80]([CH3:83])[CH2:81][CH2:82]1.[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1.[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49]>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[cH:23][c:24]([F:32])[c:25]([C:26](=[O:28])[NH:76][CH:77]5[CH2:78][CH2:79][N:80]([CH3:83])[CH2:81][CH2:82]5)[cH:29][c:30]4[F:31])[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1