HRID153292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

结构：COc1cc(C(=O)O)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID25253679

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：COc1cc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

HCID57955601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbd1dbb079ad472b9774b3a7e3dc5338
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:41][N:42]([C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[N+:54]([O-:55])=[N:56]1)[CH3:57].[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[CH3:88][N:89]([CH3:90])[CH:91]=[O:92].[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:33])[c:25]([C:26](=[O:27])[OH:28])[cH:29][c:30]4[O:31][CH3:32])[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:58]([N:59]([CH:60]([CH3:61])[CH3:62])[CH2:63][CH3:64])([CH3:65])[CH3:66].[NH2:67][CH:68]1[CH2:69][CH2:70][N:71]([C:74](=[O:75])[O:76][C:77]([CH3:78])([CH3:79])[CH3:80])[CH2:72][CH2:73]1.[OH2:87].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40]>>[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:33])[c:25]([C:26](=[O:27])[NH:67][CH:68]5[CH2:69][CH2:70][N:71]([C:74](=[O:75])[O:76][C:77]([CH3:78])([CH3:79])[CH3:80])[CH2:72][CH2:73]5)[cH:29][c:30]4[O:31][CH3:32])[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