HRID952027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID3629994

Tert-butyl 2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate

C12H19N3O4

结构：Cn1cnc2c(C#N)nc(-c3ccc(OCCOS(C)(=O)=O)c(C(F)(F)F)c3)cc21

HCID57657560

未命名化合物

PRODUCTS

生成物

结构：Cn1cnc2c(C#N)nc(-c3ccc(OCCN4C(=O)NC5(CCN(C(=O)OC(C)(C)C)CC5)C4=O)c(C(F)(F)F)c3)cc21

HCID67100581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b7891928bdd4d00a3cb04caba382a30
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([C:12](=[O:17])[NH:13][C:14](=[O:16])[NH:15]2)[CH2:18][CH2:19]1.[CH2:62]([N+:63]([CH2:64][CH2:65][CH2:66][CH3:67])([CH2:68][CH2:69][CH2:70][CH3:71])[CH2:72][CH2:73][CH2:74][CH3:75])[CH2:76][CH2:77][CH3:78].[CH3:20][S:21]([O:22][CH2:25][CH2:26][O:27][c:28]1[c:29]([C:46]([F:47])([F:48])[F:49])[cH:30][c:31](-[c:34]2[cH:35][c:36]3[c:37]([c:38]([C:40]#[N:41])[n:39]2)[n:42][cH:43][n:44]3[CH3:45])[cH:32][cH:33]1)(=[O:23])=[O:24].[I-:61].[K+:50].[K+:51].[O-:52][C:53]([O-:54])=[O:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([C:12](=[O:17])[N:13]([CH2:25][CH2:26][O:27][c:28]3[c:29]([C:46]([F:47])([F:48])[F:49])[cH:30][c:31](-[c:34]4[cH:35][c:36]5[c:37]([c:38]([C:40]#[N:41])[n:39]4)[n:42][cH:43][n:44]5[CH3:45])[cH:32][cH:33]3)[C:14](=[O:16])[NH:15]2)[CH2:18][CH2:19]1