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Benzene → Tert-butyl 3-(3-amino-4-bromobenzyloxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

HRID 1217651
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HRID 1217651 반응식
[BH4-:46].[Br:1][c:2]1[c:3]([N+:43]([O-:44])=[O:45])[cH:4][c:5]([CH2:6][O:7][CH:8]2[CH2:9][N:10]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:11][CH2:12][CH:13]2[c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][c:26]3[c:27]([O:32][CH3:33])[cH:28][cH:29][cH:30][cH:31]3)[cH:18][cH:19]2)[cH:41][cH:42]1.[Na+:47].[Ni:60]([Cl:61])[Cl:62].[OH2:54].[OH2:55].[OH2:56].[OH2:57].[OH2:58].[OH2:59].[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[Br:1][c:2]1[c:3]([NH2:43])[cH:4][c:5]([CH2:6][O:7][CH:8]2[CH2:9][N:10]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:11][CH2:12][CH:13]2[c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][CH2:23][O:24][CH2:25][c:26]3[c:27]([O:32][CH3:33])[cH:28][cH:29][cH:30][cH:31]3)[cH:18][cH:19]2)[cH:41][cH:42]1
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참가 물질

7

반응물 6

HCID 241BenzeneHCID 923Sodium IonHCID 962Water6회HCID 24385Nickel DichlorideHCID 28123BorohydrideHCID 68502678Tert-butyl 3-(4-bromo-3-nitrobenzyloxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

생성물 1

HCID 68504899
Tert-butyl 3-(3-amino-4-bromobenzyloxy)-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-e6ffc9128fea4b668374f2c1ba603fd1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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