HRID304866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CC(=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)OC(C)(C)C)C2SC1)Sc1nnc(C)s1

HCID53769558

未命名化合物

PRODUCTS

生成物

结构：CC(=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)OC(C)(C)C)C2S(=O)C1)Sc1nnc(C)s1

HCID70485794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-318ec065dbf641c7b7dc7fcdc950ba33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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