HRID290180

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8058

n-Hexane

C6H14

HCID10908

tert-Butyl acetate

C6H12O2

HCID9817613

2-(8-phenyloctyl)benzaldehyde

C21H26O

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CC(O)c1ccccc1CCCCCCCCc1ccccc1

HCID15617420

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47f460c863bf4cb3b8f8ae3b1ea9bd26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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