HRID182084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20804982

3-Amino-N-cyclopropyl-2-hydroxyhexanamide

C9H18N2O2

结构：CC(C)(C)C(NC(=O)CC1CCCCC1)C(=O)N1CC2(CC1C(=O)O)CN(c1cccc(Cl)c1)C(=O)O2

HCID178446520

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(=O)C1CC2(CN(c3cccc(Cl)c3)C(=O)O2)CN1C(=O)C(NC(=O)CC1CCCCC1)C(C)(C)C)C(O)C(=O)NC1CC1

HCID178449257

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60adb257d4384d7fa0a7fa39a5a3dab0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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