HRID159900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID16775300

未命名化合物

HCID57875816

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)N1CCN(C(=O)c2ccccc2Br)CC1)Nc1cc(-c2ccc(F)cc2)on1

HCID44231796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd051fc201f8422d827aba15ba2622a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:51][c:52]1[c:53]([C:58](=[O:59])[N:60]2[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]2)[cH:54][cH:55][cH:56][cH:57]1.[CH3:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:50].[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([NH:22][C:23]([CH2:24][C:25](=[O:26])[OH:27])=[O:28])[n:20][o:21]2)[cH:15][cH:16]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1>>[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([NH:22][C:23]([CH2:24][C:25](=[O:27])[N:63]3[CH2:62][CH2:61][N:60]([C:58]([c:53]4[c:52]([Br:51])[cH:57][cH:56][cH:55][cH:54]4)=[O:59])[CH2:65][CH2:64]3)=[O:28])[n:20][o:21]2)[cH:15][cH:16]1