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Water → 1-(2-Chloro-4-nitroimidazol-1-yl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propan-2-ol

HRID 1227754
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HRID 1227754 반응식
[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[Cl:1][c:2]1[n:3]([CH2:10][C:11]2([CH3:14])[O:12][CH2:13]2)[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[F:15][C:16]([O:17][c:18]1[cH:19][cH:20][c:21]([N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[cH:22][cH:23]1)([F:30])[F:31].[OH2:32]>>[Cl:1][c:2]1[n:3]([CH2:10][C:11]([OH:12])([CH2:13][N:27]2[CH2:26][CH2:25][N:24]([c:21]3[cH:20][cH:19][c:18]([O:17][C:16]([F:15])([F:30])[F:31])[cH:23][cH:22]3)[CH2:29][CH2:28]2)[CH3:14])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1
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5

반응물 4

HCID 962WaterHCID 6228DimethylformamideHCID 159655232-Chloro-1-(2-methyloxiran-2-ylmethyl)-4-nitroimidazoleHCID 230811701-(4-(Trifluoromethoxy)phenyl)piperazine

생성물 1

HCID 230802331-(2-Chloro-4-nitroimidazol-1-yl)-2-methyl-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]propan-2-ol

출처 및 근거

ORD 기록
ord-574219f9f28247809a1fdf9c1409d633
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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