HRID692258

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

HCID6344

Dichloromethane

CH2Cl2

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+

HCID21085691

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：CCc1cccc(CNCC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cccc(-c3ncc(CCC(=O)OC)o3)c2)c1

HCID178436280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66e867d6fadf4c4da6555393459c48a6
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

[CH2:80]([Cl:81])[Cl:82].[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][n:8][c:9](-[c:11]2[cH:12][c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][cH:19]2)[o:10]1)=[O:20].[CH:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH2:26][CH3:27])([CH3:28])[CH3:29].[ClH:54].[ClH:55].[NH2:56][CH:57]([CH:58]([CH2:59][NH:60][CH2:61][c:62]1[cH:63][c:64]([CH2:68][CH3:69])[cH:65][cH:66][cH:67]1)[OH:70])[CH2:71][c:72]1[cH:73][c:74]([F:79])[cH:75][c:76]([F:78])[cH:77]1.[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][C:39]([N:40]([CH3:41])[CH3:42])=[N+:43]([CH3:44])[CH3:45])[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][n:8][c:9](-[c:11]2[cH:12][c:13]([C:14](=[O:16])[NH:56][CH:57]([CH:58]([CH2:59][NH:60][CH2:61][c:62]3[cH:63][c:64]([CH2:68][CH3:69])[cH:65][cH:66][cH:67]3)[OH:70])[CH2:71][c:72]3[cH:73][c:74]([F:79])[cH:75][c:76]([F:78])[cH:77]3)[cH:17][cH:18][cH:19]2)[o:10]1)=[O:20]