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Potassium Cation → N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-({[3-(dimethylamino)phenyl]methyl}oxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide

HRID 670442
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HRID 670442 반응식
[C:41]([CH2:42][CH2:43][CH2:44][CH2:45][O-:46])([CH3:47])([CH3:48])[CH3:49].[C:51]([OH:52])([CH3:53])([CH3:54])[CH3:55].[CH3:30][N:31]([c:32]1[cH:33][c:34]([CH2:38][OH:39])[cH:35][cH:36][cH:37]1)[CH3:40].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][s:24][n:25][c:26]3[Cl:27])[CH2:20][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:28])[F:29].[K+:50]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][s:24][n:25][c:26]3[O:39][CH2:38][c:34]3[cH:33][c:32]([N:31]([CH3:30])[CH3:40])[cH:37][cH:36][cH:35]3)[CH2:20][CH2:21]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:28])[F:29]
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HCID 813Potassium CationHCID 6386tert-ButanolHCID 90133m-(Dimethylamino)benzyl alcoholHCID 590137964-(4-Chloro-[1,2,5]thiadiazol-3-yl)-piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)amideHCID 178443688HCID 178443688, 화합물

생성물 1

HCID 59013877
N-[3,5-bis(trifluoromethyl)phenyl]-4-[4-({[3-(dimethylamino)phenyl]methyl}oxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxamide

출처 및 근거

ORD 기록
ord-93158ae59ba54cc78d9bd54702d7c0da
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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