HRID1117206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID148119

Piperidin-3-amine

C5H12N2

结构：Cn1c(=O)c2c(nc(Cl)n2Cc2ccccc2Br)n(C)c1=O

HCID598207

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c2c(nc(N3CCCC(N)C3)n2Cc2ccccc2Br)n(C)c1=O

HCID10297440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08f54651e5aa41478f0a421500e25aac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([Cl:18])[n:7][c:8]3[n:9]([CH3:17])[c:10](=[O:16])[n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[cH:19][cH:20][cH:21][cH:22]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:44][CH:45]([OH:46])[CH3:47].[ClH:23].[ClH:24].[NH2:25][CH:26]1[CH2:27][NH:28][CH2:29][CH2:30][CH2:31]1.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[Br:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]([N:28]3[CH2:27][CH:26]([NH2:25])[CH2:31][CH2:30][CH2:29]3)[n:7][c:8]3[n:9]([CH3:17])[c:10](=[O:16])[n:11]([CH3:15])[c:12](=[O:14])[c:13]23)[cH:19][cH:20][cH:21][cH:22]1