HRID1212159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID61739

Hypochlorite

ClO-

HCID70803

4-Phenylpyridine-1-oxide

C11H9NO

结构：CC(C)Oc1cc(C(Cc2ccccc2)(NC(=O)C=C(C(F)(F)F)C(F)(F)F)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F

HCID74065112

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cc(C(Cc2ccccc2)(NC(=O)C2OC2(C(F)(F)F)C(F)(F)F)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F

HCID74065113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a5143cf9e514cd18c5b76a2278d1baa
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

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