HRID2159166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID166653

Hydride

H-

结构：Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCOc1ccc2c(C)c[nH]c2c1

HCID23614495

未命名化合物

PRODUCTS

生成物

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

HCID69279704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3873db585ee6474daa88d460e4d2dc4d
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

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