HRID1126905

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

结构：CN1C(=O)C(F)(F)CN(C2CCCCC2)c2nc(Nc3ccc(C(=O)O)cc3)ncc21

HCID58015095

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(C2CCCCC2)c2nc(Nc3ccc(C(N)=O)cc3)ncc21

HCID58015004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b979a97895f24d1aab55cbd5281e4eb9
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

[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:46][N:47]([C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]1[c:53]2[c:54]([n:55][cH:56][cH:57][cH:58]2)[N+:59]([O-:60])=[N:61]1)[CH3:62].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH:1]1([N:7]2[c:8]3[c:9]([cH:18][n:19][c:20]([NH:22][c:23]4[cH:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]4)[n:21]3)[N:10]([CH3:17])[C:11](=[O:16])[C:12]([F:14])([F:15])[CH2:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:63].[NH4+:64].[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45]>>[CH:1]1([N:7]2[c:8]3[c:9]([cH:18][n:19][c:20]([NH:22][c:23]4[cH:24][cH:25][c:26]([C:27](=[O:28])[NH2:34])[cH:30][cH:31]4)[n:21]3)[N:10]([CH3:17])[C:11](=[O:16])[C:12]([F:14])([F:15])[CH2:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1