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Toluene → 1-Methyl-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)piperazine

HRID 1220412
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HRID 1220412 반응식
[Br:4][c:5]1[cH:6][c:7]([N:11]2[CH2:12][CH2:13][N:14]([CH3:17])[CH2:15][CH2:16]2)[cH:8][cH:9][cH:10]1.[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:25][C:26]1([CH3:33])[O:27][BH:28][O:29][C:30]1([CH3:31])[CH3:32].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cl:1][CH2:2][Cl:3].[Pd:41]([Cl:42])[Cl:43]>>[c:5]1([B:28]2[O:27][C:26]([CH3:25])([CH3:33])[C:30]([CH3:31])([CH3:32])[O:29]2)[cH:6][c:7]([N:11]2[CH2:12][CH2:13][N:14]([CH3:17])[CH2:15][CH2:16]2)[cH:8][cH:9][cH:10]1
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HCID 1140TolueneHCID 6344DichloromethaneHCID 8471TriethylamineHCID 24290Palladium ChlorideHCID 27347684,4,5,5-Tetramethyl[1,3,2]dioxaborolaneHCID 534153291-(3-Bromophenyl)-4-methylpiperazine

생성물 1

HCID 592647461-Methyl-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)piperazine

출처 및 근거

ORD 기록
ord-e2779dd1d6ff45d38228761d9a41ccac
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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