HRID1125772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID16028

Tetrabutylammonium

C16H36N+

HCID4018357

[1-(tert-Butoxycarbonyl)pyrrolidin-2-yl]acetic 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)CN4CCCC4CC(=O)O)cc3)no2)noc1-c1ccccc1

HCID76738013

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e458bb9829604f21ac24669384082549
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

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