HRID2133131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID57416499

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyridin-2-amine

C12H16BF3N2O2

结构：Clc1cc(Nc2nc(-c3ccccc3)cs2)nc(N2CCOCC2)n1

HCID59507613

未命名化合物

PRODUCTS

生成物

结构：Nc1cc(C(F)(F)F)c(-c2cc(Nc3nc(-c4ccccc4)cs3)nc(N3CCOCC3)n2)cn1

HCID59507621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1c372c8c2b6430a9158cb877da26af0
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

[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([c:34]2[c:35]([C:41]([F:42])([F:43])[F:44])[cH:36][c:37]([NH2:40])[n:38][cH:39]2)[O:45]1.[Cl:1][c:2]1[cH:3][c:4]([NH:14][c:15]2[s:16][cH:17][c:18](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:19]2)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57]>>[c:2]1(-[c:34]2[c:35]([C:41]([F:42])([F:43])[F:44])[cH:36][c:37]([NH2:40])[n:38][cH:39]2)[cH:3][c:4]([NH:14][c:15]2[s:16][cH:17][c:18](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:19]2)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1