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Toluene → 4-[5-(2-Methylthiopyrimidin-4-yl)-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine-1-carboxylic acid benzyl ester

HRID 2160987
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반응식

HRID 2160987 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH:14]([c:17]2[nH:18][c:19](-[c:32]3[n:33][c:34]([S:38][CH3:39])[n:35][cH:36][cH:37]3)[c:20](-[c:22]3[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]3)[n:21]2)[CH2:15][CH2:16]1.[CH3:40][O:41][CH:42]([O:43][CH3:44])[N:45]([CH3:46])[CH3:47].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][CH:14]([c:17]2[n:18]([CH3:40])[c:19](-[c:32]3[n:33][c:34]([S:38][CH3:39])[n:35][cH:36][cH:37]3)[c:20](-[c:22]3[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]3)[n:21]2)[CH2:15][CH2:16]1
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참가 물질

4

반응물 3

HCID 1140TolueneHCID 78373Dimethylformamide dimethyl acetalHCID 106503634-[5-(2-Methylthiopyrimidin-4-yl)-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]piperidine-1-carboxylic acid benzyl ester

생성물 1

HCID 106030804-[5-(2-Methylthiopyrimidin-4-yl)-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine-1-carboxylic acid benzyl ester

출처 및 근거

ORD 기록
ord-043939beb49c46c4bc83b025b9adc8c2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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