Bicarbonate Ion → N-{3-[2-(3,6-dihydro-2H-thiopyran-4-yl)-1,3-thiazol-5-yl]-5-methylphenyl}-4-(trifluoromethyl)pyrimidin-2-amine

反応式

[CH3:1][c:2]1[cH:3][c:4](-[c:19]2[cH:20][n:21][c:22]([C:24]3([OH:30])[CH2:25][CH2:26][S:27][CH2:28][CH2:29]3)[s:23]2)[cH:5][c:6]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[n:14]2)[cH:7]1.[Na+:35].[O-:31][C:32]([OH:33])=[O:34]>>[CH3:1][c:2]1[cH:3][c:4](-[c:19]2[cH:20][n:21][c:22]([C:24]3=[CH:25][CH2:26][S:27][CH2:28][CH2:29]3)[s:23]2)[cH:5][c:6]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[n:14]2)[cH:7]1

参加物

反応物 3

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 672569944-[5-(3-methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}-phenyl)-1,3-thiazol-2-yl]tetrahydro-2H-thiopyran-4-ol

生成物 1

HCID 58456228N-{3-[2-(3,6-dihydro-2H-thiopyran-4-yl)-1,3-thiazol-5-yl]-5-methylphenyl}-4-(trifluoromethyl)pyrimidin-2-amine

出典と根拠

ORDレコード: ord-3638b7ad5529490588036cf9b70064a7
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…