HRID100981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID277977

2-(4-Methoxyphenyl)ethyl methanesulfonate

C10H14O4S

结构：COc1ccc2c(c1)C(C(=O)Nc1ccc(C(C)C)cc1)CCC2

HCID17854209

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CCN(C(=O)C2CCCc3ccc(OC)cc32)c2ccc(C(C)C)cc2)cc1

HCID17854223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaf3013e179b49ef9f7ac08c700c448e
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

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