HRID1545917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCCc1c(-c2ccccc2)n(Cc2ccccc2)c2ccc(-c3ccc(OCC(=O)OC)cc3)cc12

HCID68814967

未命名化合物

PRODUCTS

生成物

结构：CCCCCc1c(-c2ccccc2)n(Cc2ccccc2)c2ccc(-c3ccc(OCC(=O)O)cc3)cc12

HCID11283482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ebeb881246c49888089f86bb631bb4b
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

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