HRID1122043

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：COc1cc(N2CCC(N3CCOCC3)CC2)ccc1N

HCID57416144

2-Methoxy-4-[4-(morpholin-4-yl)piperidin-1-yl]aniline

C16H25N3O2

反应SMILES：CS(=O)c1ncc2ccc(-c3ccccc3S(C)(=O)=O)n2n1

HCID66711406

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1ncc2ccc(-c3ccccc3S(C)(=O)=O)n2n1

HCID66711055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d83617ce25d64ea492f59ed5f6d24f07
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

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