HRID1232288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734379

Pyridine-4-boronic acid

C5H6BNO2

结构：O=[N+]([O-])c1ccc(Oc2cc3cnn(C4CCCCO4)c3cc2Br)c(F)c1

HCID66766903

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc(Oc2cc3cnn(C4CCCCO4)c3cc2-c2ccncc2)c(F)c1

HCID66766866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-829a33fbd5514e7aba78813303e9306b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:17][c:18]2[c:19]([F:27])[cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]2)[cH:4][c:5]2[cH:6][n:7][n:8]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:9]2[cH:10]1.[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[Cl-:37].[NH4+:38].[n:28]1[cH:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1>>[c:2]1(-[c:31]2[cH:30][cH:29][n:28][cH:33][cH:32]2)[c:3]([O:17][c:18]2[c:19]([F:27])[cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]2)[cH:4][c:5]2[cH:6][n:7][n:8]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:9]2[cH:10]1