Sodium ion → 2-(4-Fluorophenyl)-N-Methyl-5-[3-({2-Methyl-1-Oxo-1-[(1,3,4-Thiadiazol-2-Yl)amino]propan-2-Yl}carbamoyl)phenyl]-1-Benzofuran-3-Carboxamide

HRID 114899

反応式

HRID 114899 の反応式
[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[o:18][c:19]3[c:20]([c:21]2[C:22]([NH:23][CH3:24])=[O:25])[cH:26][c:27](-[c:30]2[cH:31][c:32]([C:33](=[O:34])[NH:35][C:36]([C:37](=[O:38])[OH:39])([CH3:40])[CH3:41])[cH:42][cH:43][cH:44]2)[cH:28][cH:29]3)[cH:15][cH:16]1.[H-:52].[Na+:51].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[s:45]1[c:46]([NH2:50])[n:47][n:48][cH:49]1>>[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[o:18][c:19]3[c:20]([c:21]2[C:22]([NH:23][CH3:24])=[O:25])[cH:26][c:27](-[c:30]2[cH:31][c:32]([C:33](=[O:34])[NH:35][C:36]([C:37](=[O:38])[NH:50][c:46]4[s:45][cH:49][n:48][n:47]4)([CH3:40])[CH3:41])[cH:42][cH:43][cH:44]2)[cH:28][cH:29]3)[cH:15][cH:16]1

参加物

7

反応物 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 199091,3,4-Thiadiazol-2-amineHCID 81531DiisopropylethylamineHCID 166653HydrideHCID 592755572-(3-(2-(4-Fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl)benzamido)-2-methylpropanoic acid

生成物 1

HCID 592754272-(4-Fluorophenyl)-N-Methyl-5-[3-({2-Methyl-1-Oxo-1-[(1,3,4-Thiadiazol-2-Yl)amino]propan-2-Yl}carbamoyl)phenyl]-1-Benzofuran-3-Carboxamide

出典と根拠

ORDレコード
ord-961dd87f9d844a46b83852bada5b731b
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

関連ノート

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