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Hydrochloric Acid → 4-Hydroxy-4-(1-(4-chlorophenyl)-5-(p-tolyl)-1H-pyrazol-3-yl)-cyclohexan-1-one

HRID 106959
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HRID 106959 반응식
[C:31](=[O:32])([O-:33])[OH:34].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:20]3([OH:30])[CH2:21][CH2:22][C:23]4([O:24][CH2:27][CH2:26][O:25]4)[CH2:28][CH2:29]3)[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]2)[cH:6][cH:7]1.[ClH:41].[Na+:35].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:20]3([OH:30])[CH2:21][CH2:22][C:23](=[O:24])[CH2:28][CH2:29]3)[cH:11][c:12]2-[c:13]2[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]2)[cH:6][cH:7]1
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반응물 5

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 583994018-(1-(4-Chlorophenyl)-5-(p-tolyl)-1H-pyrazol-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol

생성물 1

HCID 461939634-Hydroxy-4-(1-(4-chlorophenyl)-5-(p-tolyl)-1H-pyrazol-3-yl)-cyclohexan-1-one

출처 및 근거

ORD 기록
ord-2508ab40df9f41e5816d0f0791bfff8e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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