HRID677099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

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

HCID178445429

未命名化合物

PRODUCTS

生成物

HCID223

Ammonia ion (NH4+)

H4N+

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ceb45e716dd845f3a841be3a27168a02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:1][O:2][CH:3]([CH3:4])[NH:5][C:6]([CH2:7][CH:8]([CH2:9][CH:10]([CH2:11][CH2:12][CH:13]1[CH:14]([CH3:32])[CH:15]=[CH:16][C:17]2=[CH:18][CH:19]([CH3:31])[CH2:20][CH:21]([O:23][C:24]([C:25]([CH2:26][CH3:27])([CH3:28])[CH3:29])=[O:30])[CH:22]12)[OH:33])[OH:34])=[O:35].[CH3:39][OH:40].[NH3:38].[Na+:37].[OH-:36].[OH2:41]>>[C:6]1(=[O:35])[CH2:7][CH:8]([OH:34])[CH2:9][CH:10]([CH2:11][CH2:12][CH:13]2[CH:14]([CH3:32])[CH:15]=[CH:16][C:17]3=[CH:18][CH:19]([CH3:31])[CH2:20][CH:21]([O:23][C:24]([C:25]([CH2:26][CH3:27])([CH3:28])[CH3:29])=[O:30])[CH:22]23)[O:33]1.[NH4+:5]