HRID205821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID247454

N,N-Diethyl-beta-alanine

C7H15NO2

HCID4641409

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

C10H15N6O+

结构：O=C(Nc1cccc(C(F)(F)F)c1)n1ccc2cc(Oc3ncnc4c3CCNC4)ccc21

HCID46224262

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCC(=O)N1CCc2c(ncnc2Oc2ccc3c(ccn3C(=O)Nc3cccc(C(F)(F)F)c3)c2)C1

HCID59394500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4860e0c0b7924e2e8d50df2ded9b5fd1
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

[CH2:68]([CH3:69])[N:70]([CH2:71][CH2:72][C:73](=[O:74])[OH:75])[CH2:76][CH3:77].[CH:58]([N:59]([CH2:60][CH3:61])[CH:62]([CH3:63])[CH3:64])([CH3:65])[CH3:66].[ClH:67].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[n:12]2[cH:13][cH:14][c:15]3[cH:16][c:17]([O:21][c:22]4[c:23]5[c:24]([n:25][cH:26][n:27]4)[CH2:28][NH:29][CH2:30][CH2:31]5)[cH:18][cH:19][c:20]23)[cH:6][cH:7][cH:8]1)([F:32])[F:33].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[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]([c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[n:12]2[cH:13][cH:14][c:15]3[cH:16][c:17]([O:21][c:22]4[c:23]5[c:24]([n:25][cH:26][n:27]4)[CH2:28][N:29]([C:73]([CH2:72][CH2:71][N:70]([CH2:68][CH3:69])[CH2:76][CH3:77])=[O:74])[CH2:30][CH2:31]5)[cH:18][cH:19][c:20]23)[cH:6][cH:7][cH:8]1)([F:32])[F:33]