HRID2327667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

结构：CCCc1c(OCCc2cc3cc(CC(=O)OC)ccc3[nH]2)ccc2c(-c3ccccc3)coc12

HCID15462901

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(OCCc2cc3cc(CC(=O)O)ccc3[nH]2)ccc2c(-c3ccccc3)coc12

HCID15462902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb59c6009b2f49268b6d49fa09d4676b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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