Methanol → 6-[4-(4-Methoxy-benzyl)-3,3-dimethyl-piperazin-1-ylmethyl]-pyridin-3-ylamine

반응식

[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]2[C:9]([CH3:24])([CH3:25])[CH2:10][N:11]([CH2:14][c:15]3[n:16][cH:17][c:18]([N+:21]([O-:22])=[O:23])[cH:19][cH:20]3)[CH2:12][CH2:13]2)[cH:26][cH:27]1.[CH3:28][OH:29]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]2[C:9]([CH3:24])([CH3:25])[CH2:10][N:11]([CH2:14][c:15]3[n:16][cH:17][c:18]([NH2:21])[cH:19][cH:20]3)[CH2:12][CH2:13]2)[cH:26][cH:27]1

참가 물질

반응물 3

HCID 887Methanol

HCID 8028Tetrahydrofuran

HCID 669145841-(4-Methoxy-benzyl)-2,2-dimethyl-4-(5-nitro-pyridin-2-ylmethyl)-piperazine

생성물 1

HCID 592928776-[4-(4-Methoxy-benzyl)-3,3-dimethyl-piperazin-1-ylmethyl]-pyridin-3-ylamine

출처 및 근거

ORD 기록: ord-7db07826a33141e5a4a74a3b5fcf3244
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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