HRID89072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6395

Methanesulfonic acid

CH4O3S

结构：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cnc(N3CCN(C(=O)C(C)(C)C)CC3)c3ccccc23)cc1

HCID69052629

未命名化合物

PRODUCTS

生成物

HCID6395

Methanesulfonic acid

CH4O3S

HCID69052629

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-584db1ca876e4a0a918239fc39e6bd4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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