HRID136183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID46835528

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

C12H16O4

结构：OCC(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID66619310

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cccc(OCC(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c1

HCID66619219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f05e8459cb8b4dab9c74d0e66959fd7a
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

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