HRID293798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID6422

未命名化合物

2 次

HCID9886

Hexafluorophosphate ion

F6P-

反应SMILES：CN(C)C(On1nnc2ccccc21)=[N+](C)C

HCID130500

未命名化合物

HCID11217658

未命名化合物

HCID18617602

未命名化合物

PRODUCTS

产物

反应SMILES：N#Cc1c[nH]c2ccc(CCNC(=O)c3ccc(C4CCC(=O)NC4)cc3)cc12

HCID18617839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bbd246e98841443d94fd7987b7b4ec31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:17](#[N:18])[c:19]1[cH:20][nH:21][c:22]2[cH:23][cH:24][c:25]([CH2:28][CH2:29][NH2:30])[cH:26][c:27]12.[CH3:70][C:71]#[N:72].[CH3:78][S:79]([CH3:80])=[O:81].[F:55][C:56]([F:57])([F:58])[C:59]([OH:60])=[O:61].[F:63][C:64]([F:65])([F:66])[C:67]([OH:68])=[O:69].[O:1]=[C:2]1[CH2:3][CH2:4][CH:5]([c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]2)[CH2:6][NH:7]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:62].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][C:40]([N:41]([CH3:42])[CH3:43])=[N+:44]([CH3:45])[CH3:46])[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[O:1]=[C:2]1[CH2:3][CH2:4][CH:5]([c:8]2[cH:9][cH:10][c:11]([C:12](=[O:14])[NH:30][CH2:29][CH2:28][c:25]3[cH:24][cH:23][c:22]4[nH:21][cH:20][c:19]([C:17]#[N:18])[c:27]4[cH:26]3)[cH:15][cH:16]2)[CH2:6][NH:7]1