HRID315863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID3681727

ethyl 6-oxo-6-phenylhexanoate

C14H18O3

HCID10924946

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCCC(=NOCc1cccc(OCc2nc(-c3ccccc3)oc2C)c1)c1ccccc1

HCID53633434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdd0ddf6cdb04b2e805ea211d72758b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][c:17]([CH2:18][O:19][NH2:20])[cH:21][cH:22][cH:23]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:41][C:42](=[O:43])[OH:44].[CH3:46][C:47](=[O:48])[O-:49].[CH3:51][CH2:52][OH:53].[Na+:45].[O:24]=[C:25]([CH2:26][CH2:27][CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[OH2:50]>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][c:17]([CH2:18][O:19][N:20]=[C:25]([CH2:26][CH2:27][CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:21][cH:22][cH:23]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1