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Bicarbonate Ion → 2-oxo-7-(trifluoromethyl)-1-[3-(trifluoromethyl)benzyl]-2,3-dihydro-1H-benzimidazole-5-carbonitrile

HRID 700702
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HRID 700702 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([CH2:10][c:11]3[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]3)[c:7](=[O:9])[nH:8]2)[c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]1.[C:30](=[O:31])([OH:32])[O-:33].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Cu:27][C:28]#[N:29].[Na+:34]>>[c:2]1([C:28]#[N:29])[cH:3][c:4]2[c:5]([n:6]([CH2:10][c:11]3[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]3)[c:7](=[O:9])[nH:8]2)[c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]1
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6

반응물 5

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 22327356HCID 22327356, 화합물HCID 178418546HCID 178418546, 화합물

생성물 1

HCID 223273832-oxo-7-(trifluoromethyl)-1-[3-(trifluoromethyl)benzyl]-2,3-dihydro-1H-benzimidazole-5-carbonitrile

출처 및 근거

ORD 기록
ord-f91b12e7fe3846a4ad7c6ef700fe044f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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