HRID100281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID3024915

N-(2,2-dimethoxyethyl)cyclohexanamine

C10H21NO2

HCID67076131

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(-c2cccc(CCOCCC(=O)N(CC(OC)OC)C3CCCCC3)c2)nn1

HCID67075953

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8cf41a71364465a9af27c23e1680089
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

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