HRID2143505

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(CC)Cc1ccc(OC(c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C2CC2)cc1C

HCID68616687

未命名化合物

PRODUCTS

生成物

结构：CCC(Cc1ccc(OC(c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)C2CC2)cc1C)C(=O)O

HCID22647587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f26c25d557eb46c580518313070e0e86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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