HRID1571925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7965

Cyclohexylamine

C6H13N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID28486

Lithium ion

Li+

HCID98116

(3-Bromo-1-propen-1-yl)benzene

C9H9Br

HCID5062348

未命名化合物

HCID9942712

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)O)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID69711055

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-808ddef2c7394f25a52ce320a200aa83
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([CH:2]([CH3:3])[CH3:4])[CH:5]([C:6](=[O:7])[OH:8])[CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16].[CH2:25]([CH:26]=[CH:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[Br:34].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[CH:17]([N-:18][CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[Li+:24].[NH2:35][CH:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[CH:5]([C:6](=[O:7])[OH:8])[CH:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:25][CH:26]=[CH:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1