HRID1125222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11357

2-Ethylaniline

C8H11N

反应SMILES：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(N2CCOCC2)nc1OCCC(=O)O

HCID15381103

未命名化合物

PRODUCTS

产物

反应SMILES：CCc1ccccc1NC(=O)CCOc1nc(N2CCOCC2)nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC

HCID53805295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-372a6ff738c34dcf8ce26b222f04f229
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16]([O:33][c:34]3[c:35]([O:40][CH3:41])[cH:36][cH:37][cH:38][cH:39]3)[c:17]([O:27][CH2:28][CH2:29][C:30](=[O:31])[OH:32])[n:18][c:19]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[n:20]2)[cH:9][cH:10]1.[CH2:42]([CH3:43])[c:44]1[c:45]([NH2:46])[cH:47][cH:48][cH:49][cH:50]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16]([O:33][c:34]3[c:35]([O:40][CH3:41])[cH:36][cH:37][cH:38][cH:39]3)[c:17]([O:27][CH2:28][CH2:29][C:30](=[O:32])[NH:46][c:45]3[c:44]([CH2:42][CH3:43])[cH:50][cH:49][cH:48][cH:47]3)[n:18][c:19]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[n:20]2)[cH:9][cH:10]1