HRID2332131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID3164328

3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoic acid

C10H9N3O3

HCID22396158

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(Br)cc1)N1CCC(NC(=O)CCc2nc(-c3ccccn3)no2)CC1

HCID22396180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faf0b599bc21432185cfd097fe729785
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[N:10]2[CH2:11][CH2:12][CH:13]([NH2:16])[CH2:14][CH2:15]2)[cH:6][cH:7]1.[CH2:44]([N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53])[CH3:54].[CH3:55][N:56]([c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1)[CH3:63].[ClH:43].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1.[n:17]1[c:18](-[c:23]2[n:24][o:25][c:26]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[n:27]2)[cH:19][cH:20][cH:21][cH:22]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[N:10]2[CH2:11][CH2:12][CH:13]([NH:16][C:30]([CH2:29][CH2:28][c:26]3[o:25][n:24][c:23](-[c:18]4[n:17][cH:22][cH:21][cH:20][cH:19]4)[n:27]3)=[O:31])[CH2:14][CH2:15]2)[cH:6][cH:7]1