HRID187400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID28486

Lithium ion

Li+

结构：CCCc1nc(C(O)C(C)(C)C)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

HCID19036186

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C(O)C(C)(C)C)c(C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

HCID19036116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-feafdfc3463746ecbf0c237809ec47d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][n:21]3[c:22]([CH2:37][CH2:38][CH3:39])[n:23][c:24]([CH:31]([C:32]([CH3:33])([CH3:34])[CH3:35])[OH:36])[c:25]3[C:26](=[O:27])[O:28][CH2:29][CH3:30])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1.[Li+:42].[OH-:41].[OH2:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][n:21]3[c:22]([CH2:37][CH2:38][CH3:39])[n:23][c:24]([CH:31]([C:32]([CH3:33])([CH3:34])[CH3:35])[OH:36])[c:25]3[C:26](=[O:27])[OH:28])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1