Hexane → 4-Bromo-1-(4-isopropylphenyl)-2-(2,3,5-trimethylphenoxy)ethanone

HRID 105528

반응식

HRID 105528 반응식
[Br:11][c:12]1[c:13]([CH3:21])[c:14]([CH3:20])[c:15]([OH:19])[cH:16][c:17]1[CH3:18].[Br:22][CH2:23][C:24](=[O:25])[c:26]1[cH:27][cH:28][c:29]([CH:32]([CH3:33])[CH3:34])[cH:30][cH:31]1.[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:1][c:2]1[cH:3][c:4]([OH:5])[c:6]([CH3:7])[c:8]([CH3:9])[cH:10]1.[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40]>>[Br:11][c:12]1[c:13]([CH3:21])[c:14]([CH3:20])[c:15]([O:19][CH2:23][C:24](=[O:25])[c:26]2[cH:27][cH:28][c:29]([CH:32]([CH3:33])[CH3:34])[cH:30][cH:31]2)[cH:16][c:17]1[CH3:18]

참가 물질

6

반응물 5

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 127692,3,5-TrimethylphenolHCID 36293344-Bromo-2,3,5-trimethylphenolHCID 140427562-Bromo-1-(4-(propan-2-yl)phenyl)ethan-1-one

생성물 1

HCID 231143254-Bromo-1-(4-isopropylphenyl)-2-(2,3,5-trimethylphenoxy)ethanone

출처 및 근거

ORD 기록
ord-6e0f8b14f7ca4a319ae6d43431d9f199
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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