HRID160985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CSc1nccc(-c2n[nH]c3nc(NC4CCC(NC(=O)OC(C)(C)C)CC4)ncc23)n1

HCID178503431

未命名化合物

PRODUCTS

生成物

结构：CS(=O)c1nccc(-c2n[nH]c3nc(NC4CCC(NC(=O)OC(C)(C)C)CC4)ncc23)n1

HCID178504618

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab7d701449c544978e93ed3de5899288
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

[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17]([NH:18][CH:19]1[CH2:20][CH2:21][CH:22]([NH:25][c:26]2[n:27][cH:28][c:29]3[c:30]([n:31]2)[nH:32][n:33][c:34]3-[c:35]2[n:36][c:37]([S:41][CH3:42])[n:38][cH:39][cH:40]2)[CH2:23][CH2:24]1)=[O:43].[CH3:47][OH:48].[Cl:44][CH2:45][Cl:46].[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]=[S:41]([c:37]1[n:36][c:35](-[c:34]2[c:29]3[cH:28][n:27][c:26]([NH:25][CH:22]4[CH2:21][CH2:20][CH:19]([NH:18][C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:43])[CH2:24][CH2:23]4)[n:31][c:30]3[nH:32][n:33]2)[cH:40][cH:39][n:38]1)[CH3:42]