HRID189101

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID95849

Glycine, N-methyl-, ethyl ester

C5H11NO2

结构：CCC(Oc1ccc(C(CC)(CC)c2ccc3cc(C(=O)O)ccc3c2)cc1C)C(O)C(C)(C)C

HCID57871421

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CN(C)C(=O)c1ccc2cc(C(CC)(CC)c3ccc(OC(CC)C(O)C(C)(C)C)c(C)c3)ccc2c1

HCID57871423

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf9ddc7d593a4e2996c44c6eec09862e
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]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:22])[c:9]([O:12][CH:13]([CH:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[OH:19])[CH2:20][CH3:21])[cH:10][cH:11]1)[c:23]1[cH:24][c:25]2[cH:26][cH:27][c:28]([C:33](=[O:34])[OH:35])[cH:29][c:30]2[cH:31][cH:32]1.[CH2:37]([CH3:38])[O:39][C:40]([CH2:41][NH:42][CH3:43])=[O:44].[ClH:36]>>[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:22])[c:9]([O:12][CH:13]([CH:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[OH:19])[CH2:20][CH3:21])[cH:10][cH:11]1)[c:23]1[cH:24][c:25]2[cH:26][cH:27][c:28]([C:33](=[O:34])[N:42]([CH2:41][C:40]([O:39][CH2:37][CH3:38])=[O:44])[CH3:43])[cH:29][c:30]2[cH:31][cH:32]1