HRID178847

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

HCID3028194

Lithium

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：O=C(O)Cc1nc2c(C(F)(F)F)cccc2[nH]1

HCID21111780

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)Cc1nc2c(C(F)(F)F)cccc2[nH]1

HCID178450526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-801ad39c30d545298f33efae3e45b456
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[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:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:71][CH2:72][Cl:73].[F:21][C:22]([c:23]1[cH:24][cH:25][cH:26][c:27]2[nH:28][c:29]([CH2:32][C:33](=[O:34])[OH:35])[n:30][c:31]12)([F:36])[F:37].[Li:20].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:47]([F:48])([F:49])([F:50])([F:51])([F:52])[F:53].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[n:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]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:33]([CH2:32][c:29]1[nH:28][c:27]2[cH:26][cH:25][cH:24][c:23]([C:22]([F:21])([F:36])[F:37])[c:31]2[n:30]1)=[O:34])=[O:19]