HRID206686

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+

HCID283696

3-Piperidineacetic acid

C7H13NO2

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

HCID58374087

未命名化合物

PRODUCTS

生成物

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

HCID50923424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2da03c9a46ee41859bbf75a03feeb1ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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