HRID140552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76938

1-Cyclohexene-1-ethanamine

C8H15N

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)NCCC2=CCCCC2)cc(N2CCCC2=O)c1

HCID77689405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-363710eef57a49cd86899ed3727f663a
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].[C:31]1([CH2:37][CH2:38][NH2:39])=[CH:32][CH2:33][CH2:34][CH2:35][CH2:36]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>>[C:31]1([CH2:37][CH2:38][NH:39][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])=[CH:32][CH2:33][CH2:34][CH2:35][CH2:36]1