HRID88060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID7707

3-Phenylpropanal

C9H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID58287277

未命名化合物

PRODUCTS

生成物

结构：O=C1N(c2ccc(C3CC3)cc2)CCC12CCN(CCCc1ccccc1)CC2

HCID53233866

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed84e20293f3405da9c1ad9dfc1a7dc0
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

[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:21][C:22](=[O:23])[OH:24].[CH:1]1([c:4]2[cH:5][cH:6][c:7]([N:10]3[C:11](=[O:20])[C:12]4([CH2:13][CH2:14]3)[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]4)[cH:8][cH:9]2)[CH2:2][CH2:3]1.[OH2:35].[c:25]1([CH2:31][CH2:32][CH:33]=[O:34])[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[CH:1]1([c:4]2[cH:5][cH:6][c:7]([N:10]3[C:11](=[O:20])[C:12]4([CH2:13][CH2:14]3)[CH2:15][CH2:16][N:17]([CH2:33][CH2:32][CH2:31][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:18][CH2:19]4)[cH:8][cH:9]2)[CH2:2][CH2:3]1