HRID684184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

2 次

HCID6328

Methyl iodide

CH3I

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID78703

4-(1-Pyrrolidinyl)piperidine

C9H18N2

HCID104967

Cesium(1+)

Cs+

2 次

结构：COC(=O)c1c(C)cc(-c2cccc(C(F)(F)F)c2)c(=O)n1C

HCID57441172

未命名化合物

结构：COC(=O)c1nc(O)c(-c2cccc(C(F)(F)F)c2)cc1C

HCID178499127

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cccc(C(F)(F)F)c2)c(=O)n(C)c1C(=O)N1CCC(N2CCCC2)CC1

HCID44547649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2c890e081fc4617ac952695c5278101
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

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