HRID1550953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID4837

Piperazine

C4H10N2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28486

Lithium ion

Li+

结构：COc1c(Br)cc(C(=O)N2CCOc3ncc(-c4ccc(C(C)=O)cc4)cc32)cc1Br

HCID66936150

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1ccc(-c2cnc3c(c2)N(C(=O)c2cc(Br)c(O)c(Br)c2)CCO3)cc1

HCID44609037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-253858bff2014a0a8bfcc5e4d121a779
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br-:33].[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[N:7]2[c:8]3[c:9]([n:13][cH:14][c:15](-[c:17]4[cH:18][cH:19][c:20]([C:23]([CH3:24])=[O:25])[cH:21][cH:22]4)[cH:16]3)[O:10][CH2:11][CH2:12]2)[cH:26][c:27]([Br:31])[c:28]1[O:29][CH3:30].[CH2:34]1[NH:35][CH2:36][CH2:37][NH:38][CH2:39]1.[CH:41]([N:42]([CH3:43])[CH3:44])=[O:45].[ClH:40].[Li+:32].[OH2:46]>>[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[N:7]2[c:8]3[c:9]([n:13][cH:14][c:15](-[c:17]4[cH:18][cH:19][c:20]([C:23]([CH3:24])=[O:25])[cH:21][cH:22]4)[cH:16]3)[O:10][CH2:11][CH2:12]2)[cH:26][c:27]([Br:31])[c:28]1[OH:29]