HRID308563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID21955499

Benzyl 4-(aminomethyl)piperidine-1-carboxylate

C14H20N2O2

HCID59613421

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)Nc1cc(NCC2CCN(C(=O)OCc3ccccc3)CC2)c(Br)cn1

HCID59613492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdc9dbf1aef34aaaa4a1121bacaf711b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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