HRID99447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6328

Methyl iodide

CH3I

HCID6386

tert-Butyl alcohol

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID4574913

未命名化合物

结构：CC12CCC(=O)NC1CCc1cc(-c3ccc4c(c3)Cc3ccccc3-4)ccc12

HCID178421420

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)CCC2(C)c3ccc(-c4ccc5c(c4)Cc4ccccc4-5)cc3CCC12

HCID178481394

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f7605ccca024a1c9a095b3726c90fbe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:30]([OH:31])([CH3:32])([CH3:33])[CH3:34].[CH3:35][C:36]([CH3:37])([O-:38])[CH3:39].[CH3:41][I:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[K+:40].[cH:1]1[c:2](-[c:14]2[cH:15][c:16]3[c:17]([cH:28][cH:29]2)[C:18]2([CH3:27])[CH2:19][CH2:20][C:21](=[O:26])[NH:22][CH:23]2[CH2:24][CH2:25]3)[cH:3][cH:4][c:5]2[c:13]1[CH2:12][c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[c:2](-[c:14]2[cH:15][c:16]3[c:17]([cH:28][cH:29]2)[C:18]2([CH3:27])[CH2:19][CH2:20][C:21](=[O:26])[N:22]([CH3:30])[CH:23]2[CH2:24][CH2:25]3)[cH:3][cH:4][c:5]2[c:13]1[CH2:12][c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1