HRID949379

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：CN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)O)cc3F)ncc21

HCID58015083

未命名化合物

结构：CN(C)C(N(C)C)=[N+]1N=[N+]([O-])c2ncccc21

HCID178484291

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(N)=O)cc3F)ncc21

HCID58015160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5935fcc6cf734582aa63bd11b9d0e291
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:39][N:40]([C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]1[c:46]2[c:47]([n:48][cH:49][cH:50][cH:51]2)[N+:52]([O-:53])=[N:54]1)[CH3:55].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([F:31])[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]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH2:61][CH3:62])([CH3:63])[CH3:64].[Cl-:65].[NH4+:66].[OH2:67].[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38]>>[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[c:23]([F:31])[cH:24][c:25]([C:26](=[O:27])[NH2:40])[cH:29][cH:30]4)[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