HRID1112991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID3769726

2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoic Acid

C15H21NO4

HCID12849524

未命名化合物

结构：CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CC(Oc2ccc(F)cc2)CC1C(=O)O

HCID178471233

未命名化合物

PRODUCTS

生成物

结构：CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1CC(Oc2ccc(F)cc2)CC1C(=O)O

HCID178463909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8acd66c274364d7ab782b9b63ac0947b
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

[CH2:18]([O:19][C:20]([CH:21]([NH:22][CH:23]([C:24]([OH:25])=[O:26])[CH3:27])[CH2:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:36])[CH3:37].[CH2:38]([CH3:39])[O:40][C:41](=[O:42])[CH:43]([CH2:44][CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[NH:52][CH:53]([CH3:54])[C:55](=[O:56])[N:57]1[CH:58]([C:59](=[O:60])[OH:61])[CH2:62][CH:63]([O:65][c:66]2[cH:67][cH:68][c:69]([F:72])[cH:70][cH:71]2)[CH2:64]1.[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[CH3:82][C:83](=[O:84])[CH3:85].[Cl:73][CH2:74][Cl:75].[ClH:17].[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]2[CH2:8][NH:9][CH:10]([C:11]([OH:12])=[O:13])[CH2:14]2)[cH:15][cH:16]1>>[O:40]=[C:41]([OH:42])[CH:43]([CH2:44][CH2:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[NH:52][CH:53]([CH3:54])[C:55](=[O:56])[N:57]1[CH:58]([C:59](=[O:60])[OH:61])[CH2:62][CH:63]([O:65][c:66]2[cH:67][cH:68][c:69]([F:72])[cH:70][cH:71]2)[CH2:64]1