HRID1569644

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

反应SMILES：COC(=O)CCc1ccc(Oc2ccc(CC(NC(=O)OC(C)(C)C)C(=O)N(C)C)cc2)cc1

HCID59762818

未命名化合物

PRODUCTS

产物

反应SMILES：CN(C)C(=O)C(Cc1ccc(Oc2ccc(CCC(=O)O)cc2)cc1)NC(=O)OC(C)(C)C

HCID59762811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a4ff4d264230440b849587050cc2aa23
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

[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][CH:20]([C:21]([N:22]([CH3:23])[CH3:24])=[O:25])[NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:17][cH:18]2)[cH:10][cH:11]1)=[O:34].[Li+:35].[OH-:36].[OH2:42]>>[O:2]=[C:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][c:13]2[cH:14][cH:15][c:16]([CH2:19][CH:20]([C:21]([N:22]([CH3:23])[CH3:24])=[O:25])[NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:17][cH:18]2)[cH:10][cH:11]1)[OH:34]