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Acetic Acid → 2,2,4,6-Tetramethyl-5-[4-(4-methylphenyl)piperazin-1-yl]-2,3-dihydro-1-benzofuran-7-ol

HRID 166587
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반응식

HRID 166587 반응식
[BrH:29].[C:30](=[O:31])([O-:32])[OH:33].[CH3:1][O:2][c:3]1[c:4]([CH3:28])[c:5]([N:15]2[CH2:16][CH2:17][N:18]([c:21]3[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]3)[CH2:19][CH2:20]2)[c:6]([CH3:14])[c:7]2[c:11]1[O:10][C:9]([CH3:12])([CH3:13])[CH2:8]2.[CH3:35][C:36](=[O:37])[OH:38].[Na+:34]>>[OH:2][c:3]1[c:4]([CH3:28])[c:5]([N:15]2[CH2:16][CH2:17][N:18]([c:21]3[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]3)[CH2:19][CH2:20]2)[c:6]([CH3:14])[c:7]2[c:11]1[O:10][C:9]([CH3:12])([CH3:13])[CH2:8]2
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반응물 5

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 769Bicarbonate IonHCID 923Sodium IonHCID 594850811-(7-Methoxy-2,2,4,6-tetramethyl-2,3-dihydro-1-benzofuran-5-yl)-4-(4-methylphenyl)piperazine

생성물 1

HCID 594849982,2,4,6-Tetramethyl-5-[4-(4-methylphenyl)piperazin-1-yl]-2,3-dihydro-1-benzofuran-7-ol

출처 및 근거

ORD 기록
ord-37a2f3427f4c4c4eb5186ce581708da2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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