HRID1538833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID46475

N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C11H15N

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCC(c2cccc(C(=O)O)n2)CC1

HCID66686647

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)c1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)C1CCCc2ccccc21

HCID66686878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-182a229ff2b44475b1e1f5c51b7164cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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