HRID801209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

结构：CC(C)(C)c1ccc(CNCCc2ccc(Cl)c(C(F)(F)F)c2)cc1

HCID68576716

未命名化合物

HCID68579087

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(C(F)(F)F)c2)C(=O)c2ncc(F)c3cc[nH]c23)cc1

HCID24760641

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e03fd397bc0843d5a9ca016b39d1931a
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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