HRID2134070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)C(On1nnc2cccnc21)=[N+](C)C

HCID4641409

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

C10H15N6O+

反应SMILES：CC(C)(C)OC(=O)Nc1cc(NC(=O)CC(=O)O)cc(C(F)(F)F)c1

HCID21111788

未命名化合物

HCID69196350

未命名化合物

PRODUCTS

产物

反应SMILES：CC#CC(O)C(CNC(=O)OCc1ccccc1)NC(=O)CC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1

HCID178450527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-653217e3379b4a62b69c836141536afd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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