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Hydrochloric Acid → 4-[[4-(3-Hydroxypropyl)phenyl](3,3,5,5-tetramethylcyclohexylidene)methyl]phenol

HRID 1202890
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반응식

HRID 1202890 반응식
[Al+3:32].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[ClH:43].[H-:31].[H-:34].[H-:35].[H-:36].[Li+:33].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][cH:11][c:12]([CH2:15][CH2:16][C:17](=[O:18])[O:19][CH3:20])[cH:13][cH:14]2)=[C:21]2[CH2:22][C:23]([CH3:29])([CH3:30])[CH2:24][C:25]([CH3:27])([CH3:28])[CH2:26]2)[cH:6][cH:7]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]([c:9]2[cH:10][cH:11][c:12]([CH2:15][CH2:16][CH2:17][OH:18])[cH:13][cH:14]2)=[C:21]2[CH2:22][C:23]([CH3:29])([CH3:30])[CH2:24][C:25]([CH3:27])([CH3:28])[CH2:26]2)[cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4회HCID 68654562Methyl 3-{4-[(4-hydroxyphenyl)(3,3,5,5-tetramethylcyclohexylidene)methyl]phenyl}propanoate

생성물 1

HCID 114063054-[[4-(3-Hydroxypropyl)phenyl](3,3,5,5-tetramethylcyclohexylidene)methyl]phenol

출처 및 근거

ORD 기록
ord-2199a09aad4643f6bd54b67670892bec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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