HRID126335

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N1C2C=C(B3OC(C)(C)C(C)(C)O3)CC1CC2

HCID53393373

tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

C18H30BNO4

HCID59808958

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C2C=C(c3cccc(C#N)c3OCc3ccccc3)CC1CC2

HCID67152057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d3c6d495bb34bf2b023dadb4933c670
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

[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]1[CH:26]2[CH:27]=[C:28]([B:33]3[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]3)[CH2:29][CH:30]1[CH2:31][CH2:32]2.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11]#[N:12])[cH:13][cH:14][cH:15][c:16]1[Br:17].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[OH2:53]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:11]#[N:12])[cH:13][cH:14][cH:15][c:16]1[C:28]1=[CH:27][CH:26]2[N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH:30]([CH2:29]1)[CH2:31][CH2:32]2