HRID1574334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCCCc1ccc(CCCn2c(C)ccc2-c2ccc(OC(Cc3ccccc3)C(=O)OCC)cc2)cc1

HCID178442129

未命名化合物

PRODUCTS

生成物

结构：CCCCCc1ccc(CCCn2c(C)ccc2-c2ccc(OC(Cc3ccccc3)C(=O)O)cc2)cc1

HCID178442128

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d009bf9fe6f4cff824d77f9be03ea9e
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

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