HRID2342172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID425070

2-[5-Methyl-2-(1-methylethyl)phenoxy]ethanamine

C12H19NO

HCID19957707

未命名化合物

PRODUCTS

生成物

结构：CCOc1c(C)c(C)c(OCc2ccccc2)c(CNCCOc2cc(C)ccc2C(C)C)c1C

HCID19957712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21b9f1809fd7483499313fb45e392d37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH:11]=[O:12])[c:13]([CH3:22])[c:14]([O:19][CH2:20][CH3:21])[c:15]([CH3:18])[c:16]1[CH3:17].[CH:23]([CH3:24])([CH3:25])[c:26]1[c:27]([O:28][CH2:29][CH2:30][NH2:31])[cH:32][c:33]([CH3:36])[cH:34][cH:35]1.[cH:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:11][NH:31][CH2:30][CH2:29][O:28][c:27]2[c:26]([CH:23]([CH3:24])[CH3:25])[cH:35][cH:34][c:33]([CH3:36])[cH:32]2)[c:13]([CH3:22])[c:14]([O:19][CH2:20][CH3:21])[c:15]([CH3:18])[c:16]1[CH3:17]