HRID92140

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID11413489

4-Benzyloxyphenylacetaldehyde

C15H14O2

结构：CC(C)(C)OC(=O)NCc1cccc(C(O)c2cc(Cl)ccc2N)c1

HCID54358865

未命名化合物

HCID178511850

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1cccc(C(O)c2cc(Cl)ccc2NCCc2ccc(OCc3ccccc3)cc2)c1

HCID54258279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cafb0172597d41d3bbc43b4cc9ef897e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:23]([Na:24])#[N:25].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH:16]=[O:17])[cH:13][cH:14]1.[CH3:18][C:19](=[O:20])[OH:21].[CH3:51][OH:52].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[H-:22].[NH2:26][c:27]1[c:28]([CH:29]([c:30]2[cH:31][c:32]([CH2:36][NH:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[cH:33][cH:34][cH:35]2)[OH:45])[cH:46][c:47]([Cl:50])[cH:48][cH:49]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][NH:26][c:27]2[c:28]([CH:29]([c:30]3[cH:31][c:32]([CH2:36][NH:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[cH:33][cH:34][cH:35]3)[OH:45])[cH:46][c:47]([Cl:50])[cH:48][cH:49]2)[cH:13][cH:14]1