HRID2127484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID77828

3-Methylglutaric anhydride

C6H8O3

结构：CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN)c2)CC1

HCID10521066

未命名化合物

PRODUCTS

生成物

结构：CC1CC(=O)N(Cc2cccc(CN3CCN(c4ccccc4OC(C)C)CC3)c2)C(=O)C1

HCID10837225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5df7b74b30343a68fc31c7af6b6eed1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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