HRID2349448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：COC(=O)Cc1ccc(C)c(Oc2ccc(N)cc2CSCC(F)(F)F)c1

HCID58372775

未命名化合物

结构：COC(=O)Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])cc2CSCC(F)(F)F)c1

HCID58372869

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1ccc(C)c(Oc2ccc(NC(=O)C(C)(C)C)cc2CSCC(F)(F)F)c1

HCID58372819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa519df74b1546beaca8df9c9d1c7de4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:57]([C:58]([CH3:59])([CH3:60])[CH3:61])(=[O:62])[Cl:63].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:12][c:13]2[c:14]([CH2:22][S:23][CH2:24][C:25]([F:26])([F:27])[F:28])[cH:15][c:16]([N+:19]([O-:20])=[O:21])[cH:17][cH:18]2)[c:8]([CH3:11])[cH:9][cH:10]1)=[O:29].[CH3:30][O:31][C:32](=[O:33])[CH2:34][c:35]1[cH:36][cH:37][c:38]([CH3:39])[c:40]([O:41][c:42]2[cH:43][cH:44][c:45]([NH2:46])[cH:47][c:48]2[CH2:49][S:50][CH2:51][C:52]([F:53])([F:54])[F:55])[cH:56]1>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([O:12][c:13]2[c:14]([CH2:22][S:23][CH2:24][C:25]([F:26])([F:27])[F:28])[cH:15][c:16]([NH:19][C:57]([C:58]([CH3:59])([CH3:60])[CH3:61])=[O:62])[cH:17][cH:18]2)[c:8]([CH3:11])[cH:9][cH:10]1)=[O:29]