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Water → 4-(2,2-dimethylbutyl)-2-[1-hydroxy-2-oxo-2-(4-pyridin-2-ylphenyl)ethyl]-N,N-dimethyl-1H-imidazole-1-sulfonamide

HRID 1133809
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HRID 1133809 반응식
[C:60](#[N:61])[CH3:62].[CH3:22][C:23]([CH2:24][c:25]1[n:26][c:27]([CH:36]([C:37]2([c:43]3[cH:44][cH:45][c:46](-[c:49]4[n:50][cH:51][cH:52][cH:53][cH:54]4)[cH:47][cH:48]3)[S:38][CH2:39][CH2:40][CH2:41][S:42]2)[OH:55])[n:28]([S:30](=[O:31])(=[O:32])[N:33]([CH3:34])[CH3:35])[cH:29]1)([CH2:56][CH3:57])[CH3:58].[F:1][C:2]([F:3])([F:5])[C:6](=[O:4])[O:7][IH2:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][C:16](=[O:17])[C:18]([F:19])([F:20])[F:21].[OH2:59]>>[O:4]=[C:37]([CH:36]([c:27]1[n:26][c:25]([CH2:24][C:23]([CH3:22])([CH2:56][CH3:57])[CH3:58])[cH:29][n:28]1[S:30](=[O:31])(=[O:32])[N:33]([CH3:34])[CH3:35])[OH:55])[c:43]1[cH:44][cH:45][c:46](-[c:49]2[n:50][cH:51][cH:52][cH:53][cH:54]2)[cH:47][cH:48]1
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반응물 4

HCID 962WaterHCID 6342AcetonitrileHCID 866385154-(2,2-dimethylbutyl)-2-{hydroxy[2-(4-pyridin-2-ylphenyl)-1,3-dithian-2-yl]methyl}-N,N-dimethyl-1H-imidazole-1-sulfonamideHCID 178526050HCID 178526050, 화합물

생성물 1

HCID 686682854-(2,2-dimethylbutyl)-2-[1-hydroxy-2-oxo-2-(4-pyridin-2-ylphenyl)ethyl]-N,N-dimethyl-1H-imidazole-1-sulfonamide

출처 및 근거

ORD 기록
ord-f9e537336a724975a8fcec4efebc735d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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