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Sodium Ion → Methyl 4-[((3-methylbutyl){4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}amino)methyl]benzoate

HRID 207075
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인쇄 미리보기

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HRID 207075 반응식
[Br:24][CH2:25][c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[O:32][CH3:33])[cH:34][cH:35]1.[CH3:1][CH:2]([CH2:3][CH2:4][NH:5][c:6]1[s:7][cH:8][c:9](-[c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[n:10]1)[CH3:21].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[H-:22].[Na+:23].[OH2:36]>>[CH3:1][CH:2]([CH2:3][CH2:4][N:5]([c:6]1[s:7][cH:8][c:9](-[c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[n:10]1)[CH2:25][c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[O:32][CH3:33])[cH:34][cH:35]1)[CH3:21]
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반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 256687Methyl 4-(bromomethyl)benzoateHCID 23143261N-(3-Methylbutyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

생성물 1

HCID 23157327
Methyl 4-[((3-methylbutyl){4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}amino)methyl]benzoate

출처 및 근거

ORD 기록
ord-dfc3d5e24867414b87de4af4ad5a53a6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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