HRID1545701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID107

Hydrocinnamic acid

C9H10O2

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID57974090

未命名化合物

PRODUCTS

生成物

结构：O=C(CCc1ccccc1)Nc1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21

HCID25022586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebe28169c0c845a39dee35853cc2b57c
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

[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[NH2:12][c:13]1[cH:14][c:15]2[c:16]([n:17][cH:18]1)[CH2:19][C:20]1([CH2:21]2)[C:22](=[O:30])[NH:23][c:24]2[n:25][cH:26][cH:27][cH:28][c:29]21.[OH:1][C:2](=[O:3])[CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1>>[C:2](=[O:3])([CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[NH:12][c:13]1[cH:14][c:15]2[c:16]([n:17][cH:18]1)[CH2:19][C:20]1([CH2:21]2)[C:22](=[O:30])[NH:23][c:24]2[n:25][cH:26][cH:27][cH:28][c:29]21