HRID683732

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID386199

未命名化合物

HCID4641409

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

C10H15N6O+

结构：CNCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F

HCID59410639

未命名化合物

PRODUCTS

生成物

结构：CN(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C(=O)C1(N(C)C)CC1

HCID59410641

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7717fc4826fc400898e9a1e3671514ea
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

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