HRID110523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67338

1,2-Ethanediamine, N,N,N'-trimethyl-

C5H14N2

结构：CC1Cc2ccc(-c3ccc(C(=O)O)nc3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402360

未命名化合物

PRODUCTS

生成物

结构：CC1Cc2ccc(-c3ccc(C(=O)N(C)CCN(C)C)nc3)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID46701652

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c596de31cbc04cfe9cddf6d87acb44c4
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

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