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Hydrochloric Acid → 2-(2-(4-Formyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

HRID 1125956
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HRID 1125956 반응식
[Br:1][CH2:2][C:3](=[O:4])[NH:5][c:6]1[c:7]([C:15](=[O:16])[NH:17][CH2:18][CH2:19][OH:20])[c:8]2[c:9]([s:10]1)[CH2:11][CH2:12][CH2:13][CH2:14]2.[C:21](=[O:22])([O-:23])[O-:24].[ClH:38].[F:27][C:28]([c:29]1[n:30][nH:31][cH:32][c:33]1[CH:34]=[O:35])([F:36])[F:37].[K+:25].[K+:26].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44]>>[CH2:2]([C:3](=[O:4])[NH:5][c:6]1[c:7]([C:15](=[O:16])[NH:17][CH2:18][CH2:19][OH:20])[c:8]2[c:9]([s:10]1)[CH2:11][CH2:12][CH2:13][CH2:14]2)[n:31]1[n:30][c:29]([C:28]([F:27])([F:36])[F:37])[c:33]([CH:34]=[O:35])[cH:32]1
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HCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 595205252-(2-Bromoacetamido)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamideHCID 178519884HCID 178519884, 화합물

생성물 1

HCID 595204812-(2-(4-Formyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetamido)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide

출처 및 근거

ORD 기록
ord-e7a4954752574345a7ad6fbb3f74cd94
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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