HRID2325442

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID2735647

1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid

C11H19NO4

结构：CCCc1c(-c2nc(-c3ccc(C(O)CBr)cc3)no2)noc1-c1ccccc1

HCID58374087

2-Bromo-1-(4-(5-(5-phenyl-4-propylisoxazol-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethanol

C22H20BrN3O3

PRODUCTS

生成物

结构：CCCc1c(-c2nc(-c3ccc(C(O)CN4CCCC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1

HCID50923274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f74c57998d740cc848144ad52a1275d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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