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Hydrochloric Acid → 3-(2,5-Dimethyl-pyrrol-1-yl)-5,6-bis-trifluoromethyl-pyridine-2-carboxylic acid (3,3,3-trifluoro-2-hydroxy-2-methyl-propyl)-amide

HRID 828165
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HRID 828165 반응식
[CH3:1][c:2]1[n:3](-[c:8]2[c:9]([C:22](=[O:23])[OH:24])[n:10][c:11]([C:18]([F:19])([F:20])[F:21])[c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[c:4]([CH3:7])[cH:5][cH:6]1.[CH3:59][N:60]1[CH2:61][CH2:62][CH2:63][C:64]1=[O:65].[ClH:25].[NH2:26][CH2:27][C:28]([C:29]([F:30])([F:31])[F:32])([OH:33])[CH3:34].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH3:1][c:2]1[n:3](-[c:8]2[c:9]([C:22](=[O:24])[NH:26][CH2:27][C:28]([C:29]([F:30])([F:31])[F:32])([OH:33])[CH3:34])[n:10][c:11]([C:18]([F:19])([F:20])[F:21])[c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[c:4]([CH3:7])[cH:5][cH:6]1
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참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 136207593-Amino-1,1,1-trifluoro-2-methylpropan-2-olHCID 584423653-(2,5-Dimethyl-pyrrol-1-yl)-5,6-bis-trifluoromethyl-pyridine-2-carboxylic acid

생성물 1

HCID 866576663-(2,5-Dimethyl-pyrrol-1-yl)-5,6-bis-trifluoromethyl-pyridine-2-carboxylic acid (3,3,3-trifluoro-2-hydroxy-2-methyl-propyl)-amide

출처 및 근거

ORD 기록
ord-81ce8d7c746f4001aa0b95618a1ae514
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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