HRID282485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

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+

结构：CCCN(C)C(=O)c1cc(C(=O)O)cc(-c2ncco2)c1

HCID21085840

未命名化合物

结构：CCc1cccc(CNCC(O)C(N)Cc2cc(F)cc(F)c2)c1

HCID21865731

未命名化合物

PRODUCTS

生成物

结构：CCCN(C)C(=O)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CNCc2cccc(CC)c2)cc(-c2ncco2)c1

HCID178457418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3858354c69a4dd0942075cde5062988
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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