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Acetone → 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one

HRID 295543
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인쇄 미리보기

반응식

HRID 295543 반응식
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:35][C:36]([CH3:37])=[O:38].[CH3:44][OH:45].[OH:1][CH2:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][c:12]1[c:13](-[c:19]2[n:20][c:21]3[c:22]([nH:23]2)[cH:24][c:25]([N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:26][c:27]3[CH3:28])[c:14](=[O:18])[nH:15][cH:16][cH:17]1>>[OH:1][CH2:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][c:12]1[c:13](-[c:19]2[n:20][c:21]3[c:22]([nH:23]2)[cH:24][c:25]([N:29]2[CH2:30][CH2:31][N:32]([CH:36]([CH3:35])[CH3:37])[CH2:33][CH2:34]2)[cH:26][c:27]3[CH3:28])[c:14](=[O:18])[nH:15][cH:16][cH:17]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 180AcetoneHCID 887MethanolHCID 8028TetrahydrofuranHCID 1355533324-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

생성물 1

HCID 1355533454-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one

출처 및 근거

ORD 기록
ord-076d42497718417e96ccaa871db68c1c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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