HRID171469

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID213329

Benzoic acid, m-(2,5-dimethylpyrrol-1-yl)-

C13H13NO2

HCID11300488

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1

HCID44578805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b562813ad174311b52b4986aa989b88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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