HRID2326617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID261

Butanal

C4H8O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID2724942

未命名化合物

结构：CC1(C)C=C(c2ccc(F)cc2C2CCNCC2)CC(C)(C)C1

HCID23142580

未命名化合物

PRODUCTS

生成物

结构：CCCCN1CCC(c2cc(F)ccc2C2=CC(C)(C)CC(C)(C)C2)CC1

HCID23141598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0129b39d226244d7a37da7f7a9dbf744
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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