HRID1561666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID76820

1,1'-(4-Chlorobutylidene)bis(4-fluorobenzene)

C16H15ClF2

HCID13076426

未命名化合物

PRODUCTS

生成物

HCID260

Hydrogen Bromide

BrH

结构：COc1cc2onc(C3CCN(CCCC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2cc1OC

HCID13078376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-718a3940fd4246f398855b6ab56383d4
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

[BrH:1].[C:21](=[O:22])([O-:23])[O-:24].[CH3:2][O:3][c:4]1[c:5]([O:19][CH3:20])[cH:6][c:7]2[c:8]([c:9]([CH:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[n:10][o:11]2)[cH:18]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:29][CH2:30][CH2:31][CH2:32][CH:33]([c:34]1[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]1)[c:41]1[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]1.[I-:28].[K+:25].[K+:26].[K+:27].[OH2:48]>>[BrH:1].[CH3:2][O:3][c:4]1[c:5]([O:19][CH3:20])[cH:6][c:7]2[c:8]([c:9]([CH:12]3[CH2:13][CH2:14][N:15]([CH2:30][CH2:31][CH2:32][CH:33]([c:34]4[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]4)[c:41]4[cH:42][cH:43][c:44]([F:47])[cH:45][cH:46]4)[CH2:16][CH2:17]3)[n:10][o:11]2)[cH:18]1