HRID1128577

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7036

Benzhydrylamine

C13H13N

结构：CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)Sc3ccccn3)CCC12

HCID19084936

未命名化合物

PRODUCTS

生成物

结构：CC12CCC(=O)C=C1CCC1C2CCC2(C)C(C(=O)NC(c3ccccc3)c3ccccc3)CCC12

HCID178421323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ce1f96c9fbd41ad8d165d71a657c142
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

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