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Hydrochloric Acid → (3,5-Di-tert-butyl-4-hydroxy-phenyl)-(3-hydroxy-3-methyl-azetidin-1-yl)-methanone

HRID 134273
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HRID 134273 반응식
[C:15]([CH3:16])([CH3:17])([CH3:18])[c:19]1[cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][c:26]([C:29]([CH3:30])([CH3:31])[CH3:32])[c:27]1[OH:28].[CH3:2][C:3]1([OH:7])[CH2:4][NH:5][CH2:6]1.[CH3:53][CH2:54][O:55][CH2:56][CH3:57].[CH3:8][CH2:9][N:10]([CH2:11][CH3:12])[CH2:13][CH3:14].[CH:33]1([N:34]=[C:35]=[N:36][CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1.[ClH:1].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[CH3:2][C:3]1([OH:7])[CH2:4][N:5]([C:22]([c:21]2[cH:20][c:19]([C:15]([CH3:16])([CH3:17])[CH3:18])[c:27]([OH:28])[c:26]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:25]2)=[O:23])[CH2:6]1
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참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 10868DicyclohexylcarbodiimideHCID 150073,5-Di-tert-butyl-4-hydroxybenzoic acidHCID 115427823-Methylazetidin-3-ol

생성물 1

HCID 11278623(3,5-Di-tert-butyl-4-hydroxy-phenyl)-(3-hydroxy-3-methyl-azetidin-1-yl)-methanone

출처 및 근거

ORD 기록
ord-a5589984e77741b891ed326df2a5f814
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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