HRID2154015

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2793834

N-(1-Phenylethyl)prop-2-en-1-amine

C11H15N

结构：CC(C)c1ccc2c(Nc3cc(C(=O)O)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2n1

HCID59376892

未命名化合物

PRODUCTS

生成物

结构：C=CCN(C(=O)c1ccc(Sc2ccc(NC(=O)OC(C)(C)C)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1)C(C)c1ccccc1

HCID67040642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3bd413c66a364aeeafa277fa72056728
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([S:15][c:16]2[c:17]([NH:25][c:26]3[c:27]4[c:28]([n:29][cH:30][n:31]3)[n:32][c:33]([CH:36]([CH3:37])[CH3:38])[cH:34][cH:35]4)[cH:18][c:19]([C:20](=[O:21])[OH:22])[cH:23][cH:24]2)[cH:13][cH:14]1.[CH2:39]([CH:40]=[CH2:41])[NH:42][CH:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH3:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([S:15][c:16]2[c:17]([NH:25][c:26]3[c:27]4[c:28]([n:29][cH:30][n:31]3)[n:32][c:33]([CH:36]([CH3:37])[CH3:38])[cH:34][cH:35]4)[cH:18][c:19]([C:20](=[O:22])[N:42]([CH2:39][CH:40]=[CH2:41])[CH:43]([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH3:50])[cH:23][cH:24]2)[cH:13][cH:14]1