HRID104367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID75737

(+/-)-Phenylalanine methyl ester

C10H13NO2

结构：CCCCc1ncc(CC(=O)NC(Cc2ccccc2)C(=O)OC)n1Cc1ccccc1Cl

HCID178441638

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ncc(CC(=O)NC(Cc2ccccc2)C(=O)O)n1Cc1ccccc1Cl

HCID19358546

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be95d1d31ffe440089c4352aaacd8f79
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

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