HRID306807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

结构：CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2)cs1

HCID86595595

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2)c(Cl)s1

HCID86595598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e8e925b264542238c1fb228bc6ce6c7
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

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