HRID701520

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-

HCID81531

Diisopropylethylamine

C8H19N

HCID2778306

1-(Trifluoromethyl)cyclopropane-1-carboxylic acid

C5H5F3O2

HCID4641409

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

C10H15N6O+

HCID67330670

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cnn2ccc(N3CCCC3c3cc(F)ccc3F)nc12)C1(C(F)(F)F)CC1

HCID67329466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bf45447d0144fe2a392fc5e68c80ac0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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