HRID2339559

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+

HCID130261

6-Bromoquipazine

C13H14BrN3

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：Cc1ccc2c3c(ccc2n1)OCC(CN1CCN(c2ccc4cc(Br)ccc4n2)CC1)O3

HCID9983632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0210cc77fb1c4f169aa29c7de26d5789
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: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.[Br:28][c:29]1[cH:30][c:31]2[cH:32][cH:33][c:34]([N:39]3[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]3)[n:35][c:36]2[cH:37][cH:38]1.[C:45](=[O:46])([OH:47])[O-:48].[CH3:50][S:51]([CH3:52])=[O:53].[Na+:49]>>[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:42]1[CH2:41][CH2:40][N:39]([c:34]2[cH:33][cH:32][c:31]3[cH:30][c:29]([Br:28])[cH:38][cH:37][c:36]3[n:35]2)[CH2:44][CH2:43]1