HRID1148676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID138261

3-Oxabicyclo[3.2.0]heptane-2,4-dione

C6H6O3

结构：Cc1cccc(-c2nc(COCC3CCCC(NCc4ccccc4)C3)c(C)o2)c1

HCID57882734

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(-c2nc(COCC3CCCC(N(Cc4ccccc4)C(=O)C4CCC4C(=O)O)C3)c(C)o2)c1

HCID11512088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d0c02cca37c4931817e52a95c6e9680
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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