HRID95870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID606665

5-Bromo-2-chloropyrimidine

C4H2BrClN2

结构：COc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OCCO

HCID10302811

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)Nc2ccc(C(C)C)cc2)nc(-c2ccncc2)nc1OCCOc1ncc(Br)cn1

HCID10122895

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b92dabdf2bb04c39be2bc4c3315f11a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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