HRID107912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID28557

18-Crown-6

C12H24O6

HCID90297

1-(Bromomethyl)-2,4-difluorobenzene

C7H5BrF2

结构：CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1

HCID280312

ethyl 5-nitroindole-2-carboxylate

C11H10N2O4

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(F)cc1F

HCID22144679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10a1020020c444d385bb48b9eee479d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:1]1[O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][O:11][CH2:12][CH2:13][O:14][CH2:15][CH2:16][O:17][CH2:18]1.[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:19][C:20]([CH3:21])([O-:22])[CH3:23].[F:42][c:43]1[c:44]([CH2:45][Br:46])[cH:47][cH:48][c:49]([F:51])[cH:50]1.[K+:24].[N+:25](=[O:26])([O-:27])[c:28]1[cH:29][c:30]2[cH:31][c:32]([C:37](=[O:38])[O:39][CH2:40][CH3:41])[nH:33][c:34]2[cH:35][cH:36]1>>[N+:25](=[O:26])([O-:27])[c:28]1[cH:29][c:30]2[cH:31][c:32]([C:37](=[O:38])[O:39][CH2:40][CH3:41])[n:33]([CH2:45][c:44]3[c:43]([F:42])[cH:50][c:49]([F:51])[cH:48][cH:47]3)[c:34]2[cH:35][cH:36]1