HRID156606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID9746

Pyridine, 2-fluoro-

C5H4FN

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)O)NC(=O)C2CC(O)CN2C1=O

HCID68496741

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)O)NC(=O)C2CC(Oc3ccccn3)CN2C1=O

HCID68494138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e93b097eb0d468fb95b5f2e03e1c0c9
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](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH:17]2[CH2:18][C:19]2([C:31](=[O:32])[OH:33])[NH:20][C:21](=[O:30])[CH:22]2[CH2:23][CH:24]([OH:29])[CH2:25][N:26]2[C:27]1=[O:28].[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH3:47][S:48]([CH3:49])=[O:50].[F:40][c:41]1[n:42][cH:43][cH:44][cH:45][cH:46]1.[K+:39]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH:17]2[CH2:18][C:19]2([C:31](=[O:32])[OH:33])[NH:20][C:21](=[O:30])[CH:22]2[CH2:23][CH:24]([O:29][c:41]3[n:42][cH:43][cH:44][cH:45][cH:46]3)[CH2:25][N:26]2[C:27]1=[O:28]