HRID192231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13245

4-Methoxycinnamic acid

C10H10O3

结构：CCCCCc1ccc(CNC(Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1

HCID67005051

未命名化合物

PRODUCTS

生成物

结构：CCCCCc1ccc(CN(C(=O)C=Cc2ccc(OC)cc2)C(Cc2ccccc2)C(=O)N2CCN(Cc3ccccc3)CC2)cc1

HCID91516062

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3c9277f8ef24d65bf00a1545d73901a
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[NH:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:29][cH:30]2)=[O:36])[CH2:12][CH2:13]1.[CH3:37][O:38][c:39]1[cH:40][cH:41][c:42]([CH:43]=[CH:44][C:45](=[O:46])[OH:47])[cH:48][cH:49]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH:15]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[N:23]([CH2:24][c:25]2[cH:26][cH:27][c:28]([CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[cH:29][cH:30]2)[C:45]([CH:44]=[CH:43][c:42]2[cH:41][cH:40][c:39]([O:38][CH3:37])[cH:49][cH:48]2)=[O:46])=[O:36])[CH2:12][CH2:13]1