HRID691563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID77902

2,2-Diphenylbutyric acid

C16H16O2

HCID21957142

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)Nc1cccc(C2CCN(CCCNC(=O)C(CC)(c3ccccc3)c3ccccc3)CC2)c1

HCID21957149

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a72cef0046c41a98d2734e6382b2608
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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