HRID680093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1

HCID10218162

未命名化合物

HCID11807008

4-(3-Aminophenyl)thiazole-2-carboxylic acid ethyl ester

C12H12N2O2S

PRODUCTS

生成物

结构：CCOC(=O)CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C(C)(C)C)C1=O

HCID11618776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcc4ea485bec4d7ea41af052325a1142
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

[CH2:40]([CH3:41])[O:42][C:43]([c:44]1[s:45][cH:46][c:47](-[c:48]2[cH:49][cH:50][cH:51][c:52]([NH2:53])[cH:54]2)[n:55]1)=[O:56].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][c:9]([NH:10][C:11]([CH2:12][N:13]2[C:14](=[O:37])[N:15]([CH2:30][C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[c:16]3[c:17]([cH:26][cH:27][cH:28][cH:29]3)[C:18]([CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]3)=[N:19]2)=[O:38])[cH:39]1>>[C:11]([CH2:12][N:13]1[C:14](=[O:37])[N:15]([CH2:30][C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[c:16]2[c:17]([cH:26][cH:27][cH:28][cH:29]2)[C:18]([CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)=[N:19]1)(=[O:38])[O:42][CH2:40][CH3:41]