Ethanol → N-[1-(2,5-dioxoimidazolidin-4-ylidene)-3-methylbutan-2-yl]-N,3,3-trimethyl-2-[[3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanamide

HRID 165250ノート

反応式

HRID 165250 の反応式
[CH3:49][CH2:50][OH:51].[CH:19](=[O:20])[CH:21]([CH:22]([CH3:23])[CH3:24])[N:25]([C:26](=[O:27])[CH:28]([C:29]([CH3:30])([CH3:31])[CH3:32])[NH:33][C:34]([CH:35]([C:36]([CH3:37])([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[CH3:44])[NH:45][CH3:46])=[O:47])[CH3:48].[Li+:18].[O:1]=[C:2]1[NH:3][CH:4]([P:8]([O:9][CH2:10][CH3:11])(=[O:12])[O:13][CH2:14][CH3:15])[C:5](=[O:7])[NH:6]1.[OH-:17].[OH2:16].[OH2:52]>>[O:1]=[C:2]1[NH:3][C:4](=[CH:19][CH:21]([CH:22]([CH3:23])[CH3:24])[N:25]([C:26](=[O:27])[CH:28]([C:29]([CH3:30])([CH3:31])[CH3:32])[NH:33][C:34]([CH:35]([C:36]([CH3:37])([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[CH3:44])[NH:45][CH3:46])=[O:47])[CH3:48])[C:5](=[O:7])[NH:6]1

参加物

7

反応物 6

HCID 702EthanolHCID 961HydroxideHCID 962Water2 回HCID 28486Lithium ionHCID 3516088Diethyl 5-hydantoylphosphonateHCID 72370856N-{1-[(1-Formyl-2-methyl-propyl)-methyl-carbamoyl]-2,2-dimethyl-propyl}-3-methyl-2-methylamino-3-phenyl-butyramide

生成物 1

HCID 178484703N-[1-(2,5-dioxoimidazolidin-4-ylidene)-3-methylbutan-2-yl]-N,3,3-trimethyl-2-[[3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanamide

出典と根拠

ORDレコード
ord-16ec78df020a4dcfa3c6ea3a89f641c2
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反応ノート

読み込み中…