HRID1230046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID89554

Cyclopentane-1,2-dicarboxylic acid

C7H10O4

HCID4641409

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

C10H15N6O+

结构：CC(C)(C)OC(=O)Nc1cccc(COc2ccc(-c3ccc(F)cc3F)cc2)c1

HCID58287788

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C1CCCC1C(=O)Nc1cccc(COc2ccc(-c3ccc(F)cc3F)cc2)c1

HCID67153757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77df202a23cd46699abf2c649d624fde
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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