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Potassium Cation → 4-[4-(2-Fluoro-pyridin-4-ylmethoxy)-[1,2,5]thiadiazol-3-yl]-piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)-amide

HRID 116521
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HRID 116521 반응식
[CH3:30][C:31]([CH3:32])([O-:33])[CH3:34].[CH3:36][C:37]([OH:38])([CH3:39])[CH3:40].[CH3:50][OH:51].[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].[F:41][c:42]1[n:43][cH:44][cH:45][c:46]([CH2:48][OH:49])[cH:47]1.[K+:35]>>[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:49][CH2:48][c:46]3[cH:45][cH:44][n:43][c:42]([F:41])[cH:47]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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반응물 6

HCID 813Potassium CationHCID 887MethanolHCID 6386tert-ButanolHCID 45749132-Methylpropan-2-olateHCID 11332468(2-Fluoropyridin-4-yl)methanolHCID 590137964-(4-Chloro-[1,2,5]thiadiazol-3-yl)-piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)amide

생성물 1

HCID 59013788
4-[4-(2-Fluoro-pyridin-4-ylmethoxy)-[1,2,5]thiadiazol-3-yl]-piperazine-1-carboxylic acid (3,5-bis-trifluoromethyl-phenyl)-amide

출처 및 근거

ORD 기록
ord-47aaefdb34d44064b3ceaa876b6f4bab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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