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Ammonium → 4-[3-[3-Tert-butyl-5-(4-methylphenyl)-4-(2-methylpropoxy)phenyl]-3-hydroxyprop-1-enyl]benzoic acid

HRID 124480
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반응식

HRID 124480 반응식
[BH4-:47].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:23]([CH:24]=[CH:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]2)=[O:35])[cH:8][c:9](-[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[c:10]1[O:11][CH2:12][CH:13]([CH3:14])[CH3:15].[CH3:51][OH:52].[Ce+3:44].[Cl-:43].[Cl-:45].[Cl-:46].[Cl-:49].[NH4+:50].[Na+:48].[OH2:36].[OH2:37].[OH2:38].[OH2:39].[OH2:40].[OH2:41].[OH2:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH:23]([CH:24]=[CH:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]2)[OH:35])[cH:8][c:9](-[c:16]2[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]2)[c:10]1[O:11][CH2:12][CH:13]([CH3:14])[CH3:15]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 223AmmoniumHCID 312Chloride4회HCID 887MethanolHCID 923Sodium IonHCID 962Water7회HCID 28123BorohydrideHCID 114853Cerium(3+)
HCID 67020745
4-[3-[3-Tert-butyl-5-(4-methylphenyl)-4-(2-methylpropoxy)phenyl]-3-oxoprop-1-enyl]benzoic acid

생성물 1

HCID 670206544-[3-[3-Tert-butyl-5-(4-methylphenyl)-4-(2-methylpropoxy)phenyl]-3-hydroxyprop-1-enyl]benzoic acid

출처 및 근거

ORD 기록
ord-3ca957a3a7b644cfbe196134438e4ae8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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