HRID1559190

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2771329

4-Morpholino-3-(trifluoromethyl)aniline

C11H13F3N2O

HCID4641409

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

C10H15N6O+

HCID57455159

未命名化合物

PRODUCTS

生成物

结构：Nc1nccc(Oc2ccc3c(C(=O)Nc4ccc(N5CCOCC5)c(C(F)(F)F)c4)cccc3c2)n1

HCID67407338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f4e3a1e5e7c4a58be080b74e4853f00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:64][N:65]1[CH2:66][CH2:67][CH2:68][C:69]1=[O:70].[CH3:71][N:72]([c:73]1[cH:74][cH:75][n:76][cH:77][cH:78]1)[CH3:79].[CH3:80][CH2:81][O:82][C:83]([CH3:84])=[O:85].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:19](=[O:20])[OH:21])[c:16]3[cH:17][cH:18]2)[n:7]1.[O:46]1[CH2:47][CH2:48][N:49]([c:52]2[c:53]([C:59]([F:60])([F:61])[F:62])[cH:54][c:55]([NH2:56])[cH:57][cH:58]2)[CH2:50][CH2:51]1.[OH2:63].[P-:22]([F:23])([F:24])([F:25])([F:26])([F:27])[F:28].[n:29]1([O:30][C:31]([N:32]([CH3:33])[CH3:34])=[N+:35]([CH3:36])[CH3:37])[c:38]2[n:39][cH:40][cH:41][cH:42][c:43]2[n:44][n:45]1>>[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:19](=[O:20])[NH:56][c:55]4[cH:54][c:53]([C:59]([F:60])([F:61])[F:62])[c:52]([N:49]5[CH2:48][CH2:47][O:46][CH2:51][CH2:50]5)[cH:58][cH:57]4)[c:16]3[cH:17][cH:18]2)[n:7]1