HRID210652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

HCID59397049

未命名化合物

结构：CCN1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1

HCID59804278

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(Cc2ccc(C(=O)Nc3cccc(Nc4ccc5c(c4)NC(=O)C5)c3)cc2C(F)(F)F)CC1

HCID59804344

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecfeca5377044c7db8cdeee07b588bce
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

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