HRID146675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID12215

未命名化合物

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID30165

Iodide ion

I-

结构：Cc1cc(F)ccc1C1CC([N+](=O)[O-])CCN1C(=O)N(C)C(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID76692619

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC(C(=O)OC)C1([N+](=O)[O-])CCN(C(=O)N(C)C(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2ccc(F)cc2C)C1

HCID178500565

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63b577db868241ad837e3af597c4e899
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:56]([N+:57]([CH2:58][CH2:59][CH2:60][CH3:61])([CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH3:72].[CH3:40][O:41][C:42](=[O:43])[CH:44]=[CH:45][C:46](=[O:47])[O:48][CH3:49].[CH3:51][S:52](=[O:53])[CH3:54].[CH3:73][CH2:74][O:75][CH2:76][CH3:77].[F-:38].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]([CH3:14])[N:15]([C:16](=[O:17])[N:18]2[CH:19]([c:27]3[c:28]([CH3:34])[cH:29][c:30]([F:33])[cH:31][cH:32]3)[CH2:20][CH:21]([N+:24](=[O:25])[O-:26])[CH2:22][CH2:23]2)[CH3:35])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:36])[F:37].[I-:55].[K+:39].[OH2:50]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]([CH3:14])[N:15]([C:16](=[O:17])[N:18]2[CH:19]([c:27]3[c:28]([CH3:34])[cH:29][c:30]([F:33])[cH:31][cH:32]3)[CH2:20][C:21]([N+:24](=[O:25])[O-:26])([CH:44]([C:42]([O:41][CH3:40])=[O:43])[CH2:45][C:46](=[O:47])[O:48][CH3:49])[CH2:22][CH2:23]2)[CH3:35])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:36])[F:37]