HRID170822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID421054

4,4-Dimethylcyclohexanamine

C8H17N

结构：CC(CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCCC(C)(C)C

HCID178450435

未命名化合物

结构：CC(C)Oc1cc(C(=O)NC(Cc2ccccc2)C2CC(C)C(=O)O2)cc(N2CCCC2=O)c1

HCID178458548

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cc(C(=O)NC(Cc2ccccc2)C(O)CC(C)C(=O)NC2CCC(C)(C)CC2)cc(N2CCCC2=O)c1

HCID22253065

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5096476bd93c4538bb90a2c07b793d27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:5][CH:6]([CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH:14]([OH:15])[CH2:16][CH:17]([C:18](=[O:19])[NH:20][CH2:21][CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH3:27])([CH3:28])([CH3:29])[CH3:30].[CH3:31][C:32]1([CH3:39])[CH2:33][CH2:34][CH:35]([NH2:38])[CH2:36][CH2:37]1.[CH:40]([CH3:41])([CH3:42])[O:43][c:44]1[cH:45][c:46]([C:47](=[O:48])[NH:49][CH:50]([CH2:51][c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[CH:58]2[O:59][C:60](=[O:64])[CH:61]([CH3:63])[CH2:62]2)[cH:65][c:66]([N:68]2[C:69](=[O:73])[CH2:70][CH2:71][CH2:72]2)[cH:67]1>>[CH3:31][C:32]1([CH3:39])[CH2:33][CH2:34][CH:35]([NH:38][C:60]([CH:61]([CH2:62][CH:58]([CH:50]([NH:49][C:47]([c:46]2[cH:45][c:44]([O:43][CH:40]([CH3:41])[CH3:42])[cH:67][c:66]([N:68]3[C:69](=[O:73])[CH2:70][CH2:71][CH2:72]3)[cH:65]2)=[O:48])[CH2:51][c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[OH:59])[CH3:63])=[O:64])[CH2:36][CH2:37]1