HRID1556142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID192794

Methyl beta-alanate

C4H9NO2

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

HCID2724700

未命名化合物

结构：CCC(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)Oc1ccc(C(=O)O)cc1

HCID67341570

未命名化合物

PRODUCTS

生成物

结构：CCC(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)Oc1ccc(C(=O)NCCC(=O)OC)cc1

HCID67343086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45a02eb6778d4626ba80348a4c39c6ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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