HRID1570300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCCOc1c(-c2cccc3sc(C=C(F)C(=O)OCC)cc23)cc(C(C)C)cc1C(C)C

HCID69220376

未命名化合物

PRODUCTS

生成物

结构：CCCOc1c(-c2cccc3sc(C=C(F)C(=O)O)cc23)cc(C(C)C)cc1C(C)C

HCID66896208

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44ccd551f8434330a5958c7a74a21d37
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

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