HRID195879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID66167

1-Phenylcyclopentanecarboxylic acid

C12H14O2

结构：COc1cccc(C23CCN(CCCc4ccccc4)CC2(C)CCC(N)C3)c1

HCID68827565

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C23CCN(CCCc4ccccc4)CC2(C)CCC(NC(=O)C2(c4ccccc4)CCCC2)C3)c1

HCID73000378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07d741c311fb4ace94b3fd0b4d5af0ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[c:1]1([CH2:7][CH2:8][CH2:9][N:10]2[CH2:11][C:12]3([CH3:29])[CH2:13][CH2:14][CH:15]([NH2:28])[CH2:16][C:17]3([c:20]3[cH:21][c:22]([O:26][CH3:27])[cH:23][cH:24][cH:25]3)[CH2:18][CH2:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:30]1([C:36]2([C:41](=[O:42])[OH:43])[CH2:37][CH2:38][CH2:39][CH2:40]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[c:1]1([CH2:7][CH2:8][CH2:9][N:10]2[CH2:11][C:12]3([CH3:29])[CH2:13][CH2:14][CH:15]([NH:28][C:41]([C:36]4([c:30]5[cH:31][cH:32][cH:33][cH:34][cH:35]5)[CH2:37][CH2:38][CH2:39][CH2:40]4)=[O:42])[CH2:16][C:17]3([c:20]3[cH:21][c:22]([O:26][CH3:27])[cH:23][cH:24][cH:25]3)[CH2:18][CH2:19]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1