HRID1130459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID81430

N-(3-Methoxyphenyl)piperazine

C11H16N2O

结构：Cc1ccc2c3c(ccc2n1)OCC(COS(=O)(=O)c1ccc(Br)cc1)O3

HCID21892070

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(N2CCN(CC3COc4ccc5nc(C)ccc5c4O3)CC2)c1

HCID10363917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f930bea1a0934e0c9f3965e8aaeeaf4c
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:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH:13]2[CH2:14][O:15][c:16]3[c:17]([c:18]4[cH:19][cH:20][c:21]([CH3:26])[n:22][c:23]4[cH:24][cH:25]3)[O:27]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[C:46](=[O:47])([OH:48])[O-:49].[CH3:28][O:29][c:30]1[cH:31][c:32]([N:36]2[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)[cH:33][cH:34][cH:35]1.[CH3:42][S:43]([CH3:44])=[O:45].[Na+:50]>>[CH2:12]([CH:13]1[CH2:14][O:15][c:16]2[c:17]([c:18]3[cH:19][cH:20][c:21]([CH3:26])[n:22][c:23]3[cH:24][cH:25]2)[O:27]1)[N:39]1[CH2:38][CH2:37][N:36]([c:32]2[cH:31][c:30]([O:29][CH3:28])[cH:35][cH:34][cH:33]2)[CH2:41][CH2:40]1