HRID162769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8083

Morpholine

C4H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID498716

未命名化合物

反应SMILES：CC1Oc2ccc(F)cc2N(CC=O)C(=O)C1NC(=O)OC(C)(C)C

HCID178434820

未命名化合物

PRODUCTS

产物

反应SMILES：CC1Oc2ccc(F)cc2N(CCN2CCOCC2)C(=O)C1NC(=O)OC(C)(C)C

HCID178434817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5035a7aa051f4fa8a5beb48cc5725726
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH:9]([CH3:24])[O:10][c:11]2[c:12]([cH:19][c:20]([F:23])[cH:21][cH:22]2)[N:13]([CH2:16][CH:17]=[O:18])[C:14]1=[O:15])=[O:25].[C:36]([BH3-:37])#[N:38].[CH2:26]1[CH2:27][O:28][CH2:29][CH2:30][NH:31]1.[CH2:49]([O:50][C:51](=[O:52])[CH3:53])[CH3:54].[CH3:32][C:33](=[O:34])[OH:35].[CH3:40][OH:41].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[Na+:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH:9]([CH3:24])[O:10][c:11]2[c:12]([cH:19][c:20]([F:23])[cH:21][cH:22]2)[N:13]([CH2:16][CH2:17][N:31]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[C:14]1=[O:15])=[O:25]