HRID2341802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID16028

Tetrabutylammonium

C16H36N+

HCID2723758

Piperazine-2-carboxylic acid

C5H10N2O2

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)CN4CCNC(C(=O)O)C4)cc3)no2)noc1-c1ccccc1

HCID50923423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab15c924c6374bd8bae3ebea7a2064b5
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:28][CH2:29][CH:30]([OH:31])[c:32]1[cH:33][cH:34][c:35](-[c:38]2[n:39][o:40][c:41](-[c:43]3[n:44][o:45][c:46](-[c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[c:47]3[CH2:48][CH2:49][CH3:50])[n:42]2)[cH:36][cH:37]1.[C:1](=[O:2])([OH:3])[CH:4]1[NH:5][CH2:6][CH2:7][NH:8][CH2:9]1.[CH2:11]([N+:12]([CH2:13][CH2:14][CH2:15][CH3:16])([CH2:17][CH2:18][CH2:19][CH3:20])[CH2:21][CH2:22][CH2:23][CH3:24])[CH2:25][CH2:26][CH3:27].[CH3:57][S:58]([CH3:59])=[O:60].[CH3:61][OH:62].[OH-:10]>>[C:1](=[O:2])([OH:3])[CH:4]1[NH:5][CH2:6][CH2:7][N:8]([CH2:29][CH:30]([OH:31])[c:32]2[cH:33][cH:34][c:35](-[c:38]3[n:39][o:40][c:41](-[c:43]4[n:44][o:45][c:46](-[c:51]5[cH:52][cH:53][cH:54][cH:55][cH:56]5)[c:47]4[CH2:48][CH2:49][CH3:50])[n:42]3)[cH:36][cH:37]2)[CH2:9]1