HRID1240539

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID4192171

tert-butyl 3-aminopropanoate

C7H15NO2

结构：COc1ccc2cc(-c3cc(-c4cc(C(F)(F)F)ccc4F)nn3C(C)c3ccc(C(=O)O)cc3)ccc2c1

HCID67486388

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2cc(-c3cc(-c4cc(C(F)(F)F)ccc4F)nn3C(C)c3ccc(C(=O)NCCC(=O)OC(C)(C)C)cc3)ccc2c1

HCID178487386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40f6d376ba934feca7ac47055801ffa5
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:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46]([CH2:47][CH2:48][NH2:49])=[O:50].[CH3:98][CH2:99][O:100][C:101](=[O:102])[CH3:103].[CH:51]([N:52]([CH2:53][CH3:54])[CH:55]([CH3:56])[CH3:57])([CH3:58])[CH3:59].[ClH:40].[F:1][c:2]1[c:3](-[c:12]2[n:13][n:14]([CH:29]([CH3:30])[c:31]3[cH:32][cH:33][c:34]([C:35](=[O:36])[OH:37])[cH:38][cH:39]3)[c:15](-[c:17]3[cH:18][c:19]4[cH:20][cH:21][c:22]([O:27][CH3:28])[cH:23][c:24]4[cH:25][cH:26]3)[cH:16]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[O:93]=[CH:94][N:95]([CH3:96])[CH3:97].[P-:60]([F:61])([F:62])([F:63])([F:64])([F:65])[F:66].[n:67]1([O:68][P+:69]([N:70]2[CH2:71][CH2:72][CH2:73][CH2:74]2)([N:75]2[CH2:76][CH2:77][CH2:78][CH2:79]2)[N:80]2[CH2:81][CH2:82][CH2:83][CH2:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][c:90]2[n:91][n:92]1>>[F:1][c:2]1[c:3](-[c:12]2[n:13][n:14]([CH:29]([CH3:30])[c:31]3[cH:32][cH:33][c:34]([C:35](=[O:37])[NH:49][CH2:48][CH2:47][C:46]([O:45][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:50])[cH:38][cH:39]3)[c:15](-[c:17]3[cH:18][c:19]4[cH:20][cH:21][c:22]([O:27][CH3:28])[cH:23][c:24]4[cH:25][cH:26]3)[cH:16]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1