HRID2145396

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)c1nc(Br)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1

HCID11339571

未命名化合物

HCID71699856

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1nc(N(C)S(=O)(=O)CCCCNC(=O)OC(C)(C)C)c2cccnc2c1OS(=O)(=O)c1ccc(C)cc1

HCID86667515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-490869e0c153429cba93e42c06e34dbf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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