HRID90999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID28486

Lithium ion

Li+

HCID92259

2,6-Diisopropylphenyl isocyanate

C13H17NO

HCID5062348

未命名化合物

HCID19895723

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cccc(C(C)C)c1NC(=O)C1CCCC(CCCCCOc2ccccc2)(c2ccccc2)C1=O

HCID19895729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e93dd71dda554bed8496e31a3168ee14
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

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