HRID1132666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID10954023

未命名化合物

PRODUCTS

生成物

结构：CN(Cc1cn(C)c2ccccc12)C(=O)C=Cc1cnc2[nH]cnc2c1

HCID178482985

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33bb2d8f2eca4ffe9b2e0646caf94d6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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