HRID139446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID46835528

Ethyl 2-(3-hydroxyphenoxy)-2-methylpropanoate

C12H16O4

结构：CCCCCCCn1nc(N(CCCO)CCCC(F)(F)F)c(=O)n(C)c1=O

HCID59298834

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCn1nc(N(CCCOc2cccc(OC(C)(C)C(=O)OCC)c2)CCCC(F)(F)F)c(=O)n(C)c1=O

HCID11856221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4054db467867456bb53e7662a3f8e0eb
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

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