HRID2319768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID4548230

未命名化合物

结构：COc1cc(CN(C)C(=O)C(Cc2ccccc2)N(CC=O)C(=O)OC(C)(C)C)cc(OC)c1OC

HCID22906975

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN(C)C(=O)C(Cc2ccccc2)N(CCNC(CC(=O)O)Cc2c[nH]c3ccccc23)C(=O)OC(C)(C)C)cc(OC)c1OC

HCID174318606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b91eb72ede884331b05323d73ac7dd1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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