HRID1238867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66029

1,2-Ethanediamine, N,N-dimethyl-N'-(phenylmethyl)-

C11H18N2

结构：COc1cc(OC)c2c(CNC(=O)OC(C)(C)C)ncc(C(=O)O)c2c1

HCID59341098

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c2c(CNC(=O)OC(C)(C)C)ncc(C(=O)N(CCN(C)C)Cc3ccccc3)c2c1

HCID68613386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e6fe1bc3c374a64a3061b6bdc65af57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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