HRID202990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

结构：COC(=O)c1sc(N)cc1OC(C)c1ccccc1C(F)(F)F

HCID51353998

未命名化合物

结构：CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1

HCID57538943

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(Nc2cc(CN3CCN(C)CC3)ccc2[N+](=O)[O-])cc1OC(C)c1ccccc1C(F)(F)F

HCID74944122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9ad7a16708f4e029a54b2db7b0c1afd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:44][C:45]#[N:46].[F:1][c:2]1[cH:3][c:4]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10].[K+:43].[NH2:19][c:20]1[cH:21][c:22]([O:29][CH:30]([CH3:31])[c:32]2[c:33]([C:38]([F:39])([F:40])[F:41])[cH:34][cH:35][cH:36][cH:37]2)[c:23]([C:25](=[O:26])[O:27][CH3:28])[s:24]1.[OH-:42]>>[c:2]1([NH:19][c:20]2[cH:21][c:22]([O:29][CH:30]([CH3:31])[c:32]3[c:33]([C:38]([F:39])([F:40])[F:41])[cH:34][cH:35][cH:36][cH:37]3)[c:23]([C:25](=[O:26])[O:27][CH3:28])[s:24]2)[cH:3][c:4]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10]