HRID2130500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9559

Tetrapropylammonium

C12H28N+

HCID13035

Piperidine, 2,2,6,6-tetramethyl-

C9H19N

HCID82029

4-Methylmorpholine 4-oxide

C5H11NO2

HCID736327

5-Bromo-2-fluorobenzaldehyde

C7H4BrFO

HCID57475660

未命名化合物

HCID178418339

未命名化合物

HCID178527104

未命名化合物

PRODUCTS

生成物

结构：COCOc1c(C(=O)c2cc(Br)ccc2F)cc(OCC(C)(C)C)nc1F

HCID67383169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ece450a6e39347559385efc566b5a0fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:33][c:34]1[cH:35][cH:36][c:37]([F:42])[c:38]([CH:39]=[O:40])[cH:41]1.[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:45][N+:46]1([O-:52])[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[CH3:63][CH2:64][CH2:65][N+:66]([CH2:67][CH2:68][CH3:69])([CH2:70][CH2:71][CH3:72])[CH2:73][CH2:74][CH3:75].[CH3:6][C:7]1([CH3:8])[CH2:9][CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[NH:15]1.[CH3:76][CH2:77][O:78][C:79]([CH3:80])=[O:81].[Cl-:43].[F:16][c:17]1[n:18][c:19]([O:27][CH2:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:20][cH:21][c:22]1[O:23][CH2:24][O:25][CH3:26].[NH4+:44].[O-:58][Ru:59](=[O:60])(=[O:61])=[O:62]>>[F:16][c:17]1[n:18][c:19]([O:27][CH2:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:20][c:21]([C:39]([c:38]2[c:37]([F:42])[cH:36][cH:35][c:34]([Br:33])[cH:41]2)=[O:40])[c:22]1[O:23][CH2:24][O:25][CH3:26]