HRID108729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID13094272

未命名化合物

结构：O=c1[nH]c(N[N+](=O)[O-])ncc1Cc1ccn(Cc2ccccc2)c(=O)c1

HCID70353932

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Br)cnc1CCCCNc1ncc(Cc2ccn(Cc3ccccc3)c(=O)c2)c(=O)[nH]1

HCID70448872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be083d2fa05143fca36831b3bd440bb7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH3:13])[c:5]([CH2:8][CH2:9][CH2:10][CH2:11][NH2:12])[n:6][cH:7]1.[N+:14]([NH:15][c:18]1[n:19][cH:20][c:21]([CH2:25][c:26]2[cH:27][c:28](=[O:39])[n:29]([CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:30][cH:31]2)[c:22](=[O:24])[nH:23]1)([O-:16])=[O:17].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[Br:1][c:2]1[cH:3][c:4]([CH3:13])[c:5]([CH2:8][CH2:9][CH2:10][CH2:11][NH:12][c:18]2[n:19][cH:20][c:21]([CH2:25][c:26]3[cH:27][c:28](=[O:39])[n:29]([CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[cH:30][cH:31]3)[c:22](=[O:24])[nH:23]2)[n:6][cH:7]1