HRID192451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：CC(CNC(C)(C)CC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)OC(C)(C)C)cc2)C1=O)OCc1ccccc1

HCID178457243

未命名化合物

PRODUCTS

生成物

结构：CC(O)CNC(C)(C)CC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3CNC(=O)OC(C)(C)C)cc2)C1=O

HCID178468261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8651ac821aec42d995bb9cbef239e78d
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)[O:8][CH:9]([CH2:10][NH:11][C:12]([CH2:13][C:14](=[O:15])[NH:16][CH:17]1[C:18](=[O:50])[N:19]([CH2:28][c:29]2[cH:30][cH:31][c:32](-[c:35]3[c:36]([CH2:41][NH:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[cH:37][cH:38][cH:39][cH:40]3)[cH:33][cH:34]2)[c:20]2[c:21]([cH:24][cH:25][cH:26][cH:27]2)[CH2:22][CH2:23]1)([CH3:51])[CH3:52])[CH3:53].[CH3:55][OH:56].[ClH:54]>>[OH:8][CH:9]([CH2:10][NH:11][C:12]([CH2:13][C:14](=[O:15])[NH:16][CH:17]1[C:18](=[O:50])[N:19]([CH2:28][c:29]2[cH:30][cH:31][c:32](-[c:35]3[c:36]([CH2:41][NH:42][C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[cH:37][cH:38][cH:39][cH:40]3)[cH:33][cH:34]2)[c:20]2[c:21]([cH:24][cH:25][cH:26][cH:27]2)[CH2:22][CH2:23]1)([CH3:51])[CH3:52])[CH3:53]