HRID117203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID70737

6-Methyl-2-pyridinecarboxaldehyde

C7H7NO

结构：COC(=O)C(Cc1ccc(-c2ccnc(C)c2C)cc1)NC(=O)C1Cc2cc3c(cc2CN1)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3

HCID76761787

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2ccnc(C)c2C)cc1)NC(=O)C1Cc2cc3c(cc2CN1Cc1cccc(C)n1)OC(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)CO3

HCID178499756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68cf147174394d5fa2441adf6b42145c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:3][O:4][C:5]([CH:6]([CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15]([CH3:21])[c:16]([CH3:20])[n:17][cH:18][cH:19]2)[cH:12][cH:13]1)[NH:22][C:23](=[O:24])[CH:25]1[NH:26][CH2:27][c:28]2[cH:29][c:30]3[c:31]([cH:32][c:33]2[CH2:34]1)[O:35][CH2:36][CH:37]([c:39]1[cH:40][cH:41][c:42]([O:45][CH2:46][c:47]2[cH:48][c:49]([Cl:54])[c:50]([Cl:53])[cH:51][cH:52]2)[cH:43][cH:44]1)[O:38]3)=[O:55].[CH3:56][c:57]1[cH:58][cH:59][cH:60][c:61]([CH:63]=[O:64])[n:62]1.[ClH:1].[ClH:2]>>[CH3:3][O:4][C:5]([CH:6]([CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15]([CH3:21])[c:16]([CH3:20])[n:17][cH:18][cH:19]2)[cH:12][cH:13]1)[NH:22][C:23](=[O:24])[CH:25]1[N:26]([CH2:63][c:61]2[cH:60][cH:59][cH:58][c:57]([CH3:56])[n:62]2)[CH2:27][c:28]2[cH:29][c:30]3[c:31]([cH:32][c:33]2[CH2:34]1)[O:35][CH2:36][CH:37]([c:39]1[cH:40][cH:41][c:42]([O:45][CH2:46][c:47]2[cH:48][c:49]([Cl:54])[c:50]([Cl:53])[cH:51][cH:52]2)[cH:43][cH:44]1)[O:38]3)=[O:55]