HRID2149755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID11158

Benzaldehyde, 4-amino-

C7H7NO

结构：CCCOc1ccc(C=Nc2ccc(C=C3C(=O)C(C(C)C)CCC3C)cc2)cc1

HCID2851099

未命名化合物

PRODUCTS

生成物

HCID5023023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c66fcdf098304d22888deadce7f41ce1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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