HRID2143686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID16775300

未命名化合物

HCID57875817

未命名化合物

PRODUCTS

生成物

结构：O=C(CC(=O)N1CCN(C(=O)c2ccccc2Br)CC1)Nc1cc(-c2ccccc2)no1

HCID44231683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e42084d9b83845cba65a3e189c1f53dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:39][c:40]1[c:41]([C:46](=[O:47])[N:48]2[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]2)[cH:42][cH:43][cH:44][cH:45]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:38].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:59].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[c:10]1(-[c:16]2[n:17][o:18][c:19]([NH:21][C:22]([CH2:23][C:24](=[O:25])[OH:26])=[O:27])[cH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1(-[c:16]2[n:17][o:18][c:19]([NH:21][C:22]([CH2:23][C:24](=[O:26])[N:51]3[CH2:50][CH2:49][N:48]([C:46]([c:41]4[c:40]([Br:39])[cH:45][cH:44][cH:43][cH:42]4)=[O:47])[CH2:53][CH2:52]3)=[O:27])[cH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1