HRID126177

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID699799

2-methyl-1,3-benzothiazol-5-ol

C8H7NOS

结构：FC(F)(F)c1ccc(-c2cc(Cl)nnc2-c2ccccc2)cc1

HCID21865189

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2cc(Oc3cc(-c4ccc(C(F)(F)F)cc4)c(-c4ccccc4)nn3)ccc2s1

HCID10434529

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dc4dae5ffbe43a0be02308659070636
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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