HRID111419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID9963

3-(Trifluoromethyl)benzoic acid

C8H5F3O2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：[N-]=[N+]=NC1CCC(N2CCCCC(N)C2=O)C(CS(=O)(=O)c2ccccc2)C1

HCID178514493

未命名化合物

PRODUCTS

生成物

结构：[N-]=[N+]=NC1CCC(N2CCCCC(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)C(CS(=O)(=O)c2ccccc2)C1

HCID178514494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-787b65f931f84714ab946bb678dbd9d4
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

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