HRID2338912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID28486

Lithium ion

Li+

结构：CCOC(=O)C(Cc1ccc(OC(c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C2CCCC2)cc1C)OCC

HCID68617267

未命名化合物

PRODUCTS

生成物

结构：CCOC(Cc1ccc(OC(c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C2CCCC2)cc1C)C(=O)O

HCID22647479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15fc0978bb1c4ad08a00b4f4900391ec
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

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