HRID96737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1nc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cs1

HCID18525749

2-Methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazole

C16H20BNO2S

结构：O=C(C1CC1)N1CCC(Cc2n[nH]c(=O)n2-c2ccc(Br)cc2)C1

HCID67354236

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(-c3ccc(-n4c(CC5CCN(C(=O)C6CC6)C5)n[nH]c4=O)cc3)cc2)cs1

HCID77275135

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-078267e460d442c1b6acc9ccf751f82e
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

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