HRID295620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID34178604

tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate

C13H24N2O2

HCID68979920

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2(CCN(Cc3cc4cnc(C#N)nc4n3CCC3CCCCC3)CC2)C1

HCID68980615

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72ea93fed7bc441cbfe14a70eeda4822
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][CH2:2][c:3]1[cH:4][c:5]2[c:6]([n:7][c:8]([C:11]#[N:12])[n:9][cH:10]2)[n:13]1[CH2:14][CH2:15][CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1.[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH2:30][C:31]2([CH2:32][CH2:33]1)[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2.[C:39](=[O:40])([O-:41])[O-:42].[K+:43].[K+:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:50]>>[CH2:2]([c:3]1[cH:4][c:5]2[c:6]([n:7][c:8]([C:11]#[N:12])[n:9][cH:10]2)[n:13]1[CH2:14][CH2:15][CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1)[N:36]1[CH2:35][CH2:34][C:31]2([CH2:30][N:29]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:33][CH2:32]2)[CH2:38][CH2:37]1