HRID2153850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16251

3,4-Dimethoxyphenol

C8H10O3

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

HCID22048667

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(OC(CN2CCC(c3cccc(NC(=O)C(C)C)c3)CC2)c2ccccc2)cc1OC

HCID22048828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-367ca052d6654d8083eac3f23bce8491
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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