HRID1535827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCC(NC(C)C(=O)N1C(C(=O)O)CC2CCCCC21)C(=O)OCC

HCID4169159

1-[2-[[1-(Ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid

C19H32N2O5

结构：O=C(O)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1

HCID57626172

未命名化合物

PRODUCTS

生成物

HCID4169159

1-[2-[[1-(Ethoxycarbonyl)butyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid

C19H32N2O5

HCID57626172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94426fc878134cf7b3b445830f140cc7
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

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