HRID2143356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID735900

1-Boc-4-piperidone

C10H17NO3

结构：CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1

HCID2734914

未命名化合物

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(B3OCC(C)(C)CO3)ccc1-2

HCID58203944

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3(O)CCN(C(=O)OC(C)(C)C)CC3)ccc1-2

HCID58203867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a54fc692118c4da29dd124993ab302c1
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

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