HRID1149066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

结构：CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1

HCID71245

Etofenprox

C25H28O3

结构：CCOc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1Br

HCID15590575

未命名化合物

PRODUCTS

生成物

HCID19165

1-Methyl-3-phenoxybenzene

C13H12O

HCID158525

Benzeneethanol, 4-ethoxy-beta,beta-dimethyl-

C12H18O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0994d0d880c9466c935a4b4220090825
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:29][c:30]1[cH:31][c:32]([C:33]([CH3:34])([CH3:35])[CH2:36][O:37][CH2:38][c:39]2[cH:40][cH:41][cH:42][c:43]([O:44][c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[cH:51]2)[cH:52][cH:53][c:54]1[O:55][CH2:56][CH3:57].[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([C:10]([CH2:11][O:12][CH2:13][c:14]2[cH:15][c:16]([O:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:17][cH:18][cH:19]2)([CH3:27])[CH3:28])[cH:8][cH:9]1.[cH:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([C:10]([CH2:11][OH:12])([CH3:27])[CH3:28])[cH:8][cH:9]1.[CH3:13][c:14]1[cH:15][c:16]([O:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:17][cH:18][cH:19]1