HRID184034

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(NCC4CCN(C(=O)OC(C)(C)C)CC4)ncc23)n1

HCID178503433

未命名化合物

PRODUCTS

生成物

结构：CS(=O)c1nccc(-c2n[nH]c3nc(NCC4CCN(C(=O)OC(C)(C)C)CC4)ncc23)n1

HCID178504620

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f48906a6ff548a684db62dd2c2a17aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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