HRID2151186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID4641409

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

C10H15N6O+

HCID44206103

1-(2,2-Difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid

C11H8F2O4

HCID57908150

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ncc2n1CCO

HCID25015780

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79359808aea5403e97819e142f154e73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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