HRID1126735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID4184869

tert-Butyl 4-[(methanesulfonyl)oxy]piperidine-1-carboxylate

C11H21NO5S

结构：CC(C)(C)OC(=O)N1CCC(Oc2nn(-c3ccc(Cl)cc3)c3ccccc23)CC1

HCID68530176

未命名化合物

HCID178518865

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2nn(-c3ccccc3F)c3cccc(F)c23)CC1

HCID68532836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce53c9eb008745f0b615d23ccaab6fb9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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