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Sodium Ion → 1-(3-(Benzyloxy)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)-4-(4-methoxyphenyl)piperazine

HRID 156130
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HRID 156130 반응식
[Br:32][CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([c:17]3[c:18]([CH3:31])[c:19]([CH3:30])[c:20]4[c:21]([c:28]3[CH3:29])[CH:22]([OH:27])[C:23]([CH3:25])([CH3:26])[O:24]4)[CH2:15][CH2:16]2)[cH:9][cH:10]1.[H-:1].[Na+:2].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:40]>>[CH3:3][O:4][c:5]1[cH:6][cH:7][c:8]([N:11]2[CH2:12][CH2:13][N:14]([c:17]3[c:18]([CH3:31])[c:19]([CH3:30])[c:20]4[c:21]([c:28]3[CH3:29])[CH:22]([O:27][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[C:23]([CH3:25])([CH3:26])[O:24]4)[CH2:15][CH2:16]2)[cH:9][cH:10]1
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반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 7498Benzyl BromideHCID 166653HydrideHCID 674202085-(4-(4-Methoxyphenyl)piperazin-1-yl)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-3-ol

생성물 1

HCID 18456033
1-(3-(Benzyloxy)-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)-4-(4-methoxyphenyl)piperazine

출처 및 근거

ORD 기록
ord-f18b162c2bad4a3ca941e36471c2d222
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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