HRID2136648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

结构：CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21

HCID3962

8-[2-(4-Hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate

C24H36O5

HCID7965

Cyclohexylamine

C6H13N

HCID8857

Ethyl acetate

C4H8O2

PRODUCTS

生成物

结构：CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)NC3CCCCC3)C21

HCID15223410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99ae8de7379048c99392f2c43fc58e34
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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