HRID1221596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID28486

Lithium ion

Li+

结构：Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCOc1ccc2c(Cl)cn(CC(=O)OC(C)(C)C)c2c1

HCID69279677

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCOc1ccc2c(Cl)cn(CC(=O)O)c2c1

HCID11214104

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32e58bfe7ec345158c53ffa7574c7cad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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