HRID143564

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID16028

Tetrabutylammonium

C16H36N+

结构：CC(C)(C)OC(=O)N1CCC(Oc2cc(=O)[nH]cc2Cl)CC1

HCID58467944

未命名化合物

PRODUCTS

生成物

HCID16028

Tetrabutylammonium

C16H36N+

结构：CC(C)(C)OC(=O)N1CCC(Oc2cc([O-])ncc2Cl)CC1

HCID178452148

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56d26da1ca4a4bef8aa99f05ca921853
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:24]([CH2:25][CH2:26][CH3:27])[N+:28]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40].[Cl:1][c:2]1[c:3]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]2)[cH:4][c:5](=[O:8])[nH:6][cH:7]1.[OH-:23].[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[CH2:24]([CH2:25][CH2:26][CH3:27])[N+:28]([CH2:29][CH2:30][CH2:31][CH3:32])([CH2:33][CH2:34][CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH3:40].[Cl:1][c:2]1[c:3]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]2)[cH:4][c:5]([O-:8])[n:6][cH:7]1