HRID116011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

2 次

HCID31268

Pyrrolidine

C4H9N

HCID22146145

未命名化合物

HCID178418339

未命名化合物

HCID178420450

未命名化合物

PRODUCTS

生成物

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

HCID4677798

8-(2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate

C25H38O5

HCID22146145

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da13c18857214b36aa27247156155add
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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