HRID2154798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7375

3-(Trifluoromethyl)aniline

C7H6F3N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID59013917

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(c2nsnc2OCc2ccncc2)CC1

HCID59013769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11a4e45bb1c443e998b26f6ab0e014f0
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

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