HRID154506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6212

Chloroform

CHCl3

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NC(C)C(C)(C)C)cn1

HCID75033844

未命名化合物

PRODUCTS

生成物

结构：Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NC(C)C(C)(C)C)c[n+]1[O-]

HCID68680326

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3f71d5f987d4297b3741799231995b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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