HRID949869

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(F)(F)F)cc4)cc32)cc1Br

HCID66936629

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cc(Br)c(O)c(Br)c1)N1CCOc2ncc(-c3ccc(C(F)(F)F)cc3)cc21

HCID66936574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7eb26de0d5264bf6adb8d2a481ce6375
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br-:34].[Br:1][c:2]1[cH:3][c:4]([C:11](=[O:12])[N:13]2[c:14]3[c:15]([n:19][cH:20][c:21](-[c:23]4[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]4)[cH:22]3)[O:16][CH2:17][CH2:18]2)[cH:5][c:6]([Br:10])[c:7]1[O:8][CH3:9].[CH2:35]1[NH:36][CH2:37][CH2:38][NH:39][CH2:40]1.[CH:42]([N:43]([CH3:44])[CH3:45])=[O:46].[ClH:41].[Li+:33].[OH2:47]>>[Br:1][c:2]1[cH:3][c:4]([C:11](=[O:12])[N:13]2[c:14]3[c:15]([n:19][cH:20][c:21](-[c:23]4[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]4)[cH:22]3)[O:16][CH2:17][CH2:18]2)[cH:5][c:6]([Br:10])[c:7]1[OH:8]