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Hydrochloric Acid → Racemic 4-(5-{3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl}-1,3-thiazol-2-yl)-4-hydroxy-2,2-dimethylcyclohexanecarboxylic acid

HRID 1134548
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인쇄 미리보기

반응식

HRID 1134548 반응식
[CH3:1][O:2][C:3](=[O:4])[CH:5]1[C:6]([CH3:33])([CH3:34])[CH2:7][C:8]([OH:11])([c:12]2[s:13][c:14](-[c:17]3[cH:18][c:19]([NH:24][c:25]4[n:26][cH:27][c:28]([F:32])[c:29]([CH3:31])[n:30]4)[cH:20][c:21]([CH3:23])[cH:22]3)[cH:15][n:16]2)[CH2:9][CH2:10]1.[CH3:38][OH:39].[ClH:37].[Na+:36].[OH-:35]>>[O:2]=[C:3]([OH:4])[CH:5]1[C:6]([CH3:33])([CH3:34])[CH2:7][C:8]([OH:11])([c:12]2[s:13][c:14](-[c:17]3[cH:18][c:19]([NH:24][c:25]4[n:26][cH:27][c:28]([F:32])[c:29]([CH3:31])[n:30]4)[cH:20][c:21]([CH3:23])[cH:22]3)[cH:15][n:16]2)[CH2:9][CH2:10]1
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반응물 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 67250082Racemic methyl-4-(5-{3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl}-1,3-thiazol-2-yl)-4-hydroxy-2,2-dimethylcyclohexanecarboxylate

생성물 1

HCID 67248815
Racemic 4-(5-{3-[(5-fluoro-4-methylpyrimidin-2-yl)amino]-5-methylphenyl}-1,3-thiazol-2-yl)-4-hydroxy-2,2-dimethylcyclohexanecarboxylic acid

출처 및 근거

ORD 기록
ord-a59d9ae2117641d5834ba7e7f44c682b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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