HRID2162506

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

HCID18450797

3-Bromothieno[3,2-c]pyridin-4-amine

C7H5BrN2S

结构：CC(C)(C)OC(=O)N1CCc2cc(B3OC(C)(C)C(C)(C)O3)ccc21

HCID18451469

tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole-1-carboxylate

C19H28BNO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2cc(-c3csc4ccnc(N)c34)ccc21

HCID66823813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea3a6a1260f54148ad9718c2b9d19648
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:1][c:2]1[cH:3][s:4][c:5]2[c:6]1[c:7]([NH2:11])[n:8][cH:9][cH:10]2.[C:37](=[O:38])([O-:39])[O-:40].[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:12][C:13]1([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18][B:19]([c:20]2[cH:21][c:22]3[c:26]([cH:27][cH:28]2)[N:25]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:24][CH2:23]3)[O:36]1.[K+:41].[K+:42]>>[c:2]1(-[c:20]2[cH:21][c:22]3[c:26]([cH:27][cH:28]2)[N:25]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:24][CH2:23]3)[cH:3][s:4][c:5]2[c:6]1[c:7]([NH2:11])[n:8][cH:9][cH:10]2