HRID88127

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(C)(C)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)O)cc3)ncc21

HCID58153936

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)c2ccc(Nc3ncc4c(n3)N(C3CCCC3)CC(C)(C)C(=O)N4C)cc2)CC1

HCID25015538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4be9c1e99e24020880aafa46b125977
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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