HRID291673

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID18450795

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

C7H5BrN2O

结构：CC(C)(C)OC(=O)N1CCc2c1ccc(B1OC(C)(C)C(C)(C)O1)c2F

HCID66823308

1H-Indole-1-carboxylic acid, 4-fluoro-2,3-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester

C19H27BFNO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2c1ccc(-c1coc3ccnc(N)c13)c2F

HCID66823904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e01fa91b2d4448dea90c751e32918b39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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