HRID702093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID8785

Benzyl acetate

C9H10O2

HCID8857

Ethyl acetate

C4H8O2

反应SMILES：CC(C)C(=O)CCc1ccc(NC(=O)OCc2ccccc2)cc1

HCID54438009

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：CC(C)C(O)(CCc1ccc(NC(=O)OCc2ccccc2)cc1)CC(=O)OCc1ccccc1

HCID53688597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-34bdebddcb2b48f2a59c46722fcbb0aa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[O:31][C:32]([NH:33][c:34]1[cH:35][cH:36][c:37]([CH2:40][CH2:41][C:42]([CH:43]([CH3:44])[CH3:45])=[O:46])[cH:38][cH:39]1)=[O:47].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:13][C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[CH3:60][C:61](=[O:62])[OH:63].[CH3:8][CH2:9][CH2:10][CH2:11][Li:12].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[OH2:53]>>[CH2:13]([C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[C:42]([CH2:41][CH2:40][c:37]1[cH:36][cH:35][c:34]([NH:33][C:32]([O:31][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)=[O:47])[cH:39][cH:38]1)([CH:43]([CH3:44])[CH3:45])[OH:46]