HRID175818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12751647

α-(Phenylmethyl)-2-thiophenemethanamine

C12H13NS

结构：CC12CCC(=O)NC1=CCC1C2CCC2(C)C(C(=O)O)CCC12

HCID22020172

未命名化合物

PRODUCTS

生成物

结构：CC12CCC(=O)NC1=CCC1C2CCC2(C)C(C(=O)NC(Cc3ccccc3)c3cccs3)CCC12

HCID178421415

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ecb58c42f1d407482c2c5adeb68c845
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

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