HRID114447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

结构：COCCCN1CCOc2ccc(COC3CN(S(=O)(=O)c4ccc(C)cc4)C(CC(C)(C)C(=O)O)CC3c3ccc(OC)cc3)cc21

HCID178495191

未命名化合物

PRODUCTS

生成物

结构：COCCCN1CCOc2ccc(COC3CN(S(=O)(=O)c4ccc(C)cc4)C(CC(C)(C)C(=O)NC4CCN(C)CC4)CC3c3ccc(OC)cc3)cc21

HCID178495184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5aa3625f5cd1403dbd5f0987f316f93b
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

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH2:10][CH:11]([CH2:42][C:43]([C:44](=[O:45])[OH:46])([CH3:47])[CH3:48])[N:12]([S:32](=[O:33])(=[O:34])[c:35]3[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]3)[CH2:13][CH:14]2[O:15][CH2:16][c:17]2[cH:18][cH:19][c:20]3[c:21]([cH:31]2)[N:22]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[CH2:23][CH2:24][O:25]3)[cH:7][cH:8]1.[CH3:49][N:50]1[CH2:51][CH2:52][CH:53]([NH2:56])[CH2:54][CH2:55]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH2:10][CH:11]([CH2:42][C:43]([C:44](=[O:45])[NH:56][CH:53]3[CH2:52][CH2:51][N:50]([CH3:49])[CH2:55][CH2:54]3)([CH3:47])[CH3:48])[N:12]([S:32](=[O:33])(=[O:34])[c:35]3[cH:36][cH:37][c:38]([CH3:41])[cH:39][cH:40]3)[CH2:13][CH:14]2[O:15][CH2:16][c:17]2[cH:18][cH:19][c:20]3[c:21]([cH:31]2)[N:22]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[CH2:23][CH2:24][O:25]3)[cH:7][cH:8]1