HRID1209503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID409810

4-Chloro-alpha-phenylbenzenemethanamine

C13H12ClN

结构：CN1C(=O)CCC2(C)C1=CCC1C2CCC2(C)C(C(=O)O)CCC12

HCID178481385

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)CCC2(C)C1=CCC1C2CCC2(C)C(C(=O)NC(c3ccccc3)c3ccc(Cl)cc3)CCC12

HCID178481376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3705c5f60a08402da92695b27b13efe2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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