HRID1548355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID8083

Morpholine

C4H9NO

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)CC(Oc1ccc(-c2ccc(C(C)C)cc2)c(C=O)c1)c1ccc(C(=O)NCCC(=O)O)cc1

HCID59518153

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(Oc1ccc(-c2ccc(C(C)C)cc2)c(CN2CCOCC2)c1)c1ccc(C(=O)NCCC(=O)O)cc1

HCID59518154

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ea79c08596e4a71b68fd9b1e150411f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:38]1[CH2:39][O:40][CH2:41][CH2:42][NH:43]1.[CH3:44][C:45](=[O:46])[OH:47].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH:1](=[O:2])[c:3]1[c:4](-[c:29]2[cH:30][cH:31][c:32]([CH:35]([CH3:36])[CH3:37])[cH:33][cH:34]2)[cH:5][cH:6][c:7]([O:9][CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[NH:21][CH2:22][CH2:23][C:24](=[O:25])[OH:26])[cH:27][cH:28]2)[cH:8]1.[Cl:48][CH2:49][Cl:50]>>[CH2:1]([c:3]1[c:4](-[c:29]2[cH:30][cH:31][c:32]([CH:35]([CH3:36])[CH3:37])[cH:33][cH:34]2)[cH:5][cH:6][c:7]([O:9][CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[NH:21][CH2:22][CH2:23][C:24](=[O:25])[OH:26])[cH:27][cH:28]2)[cH:8]1)[N:43]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1