HRID1547048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8018

2-Methoxyethylamine

C3H9NO

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)NCCOC)CC3c3ccc(OC)cc3)cc21

HCID178495188

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-107dcc8196774afb8a62138b680dc0c1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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][O:50][CH2:51][CH2:52][NH2:53]>>[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:53][CH2:52][CH2:51][O:50][CH3:49])([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