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Bicarbonate Ion → N-(2-Bromo-4-methyl-5-(trifluoromethyl)benzyl)(3,5-bis(trifluoromethyl)phenyl)methanamine

HRID 107635
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HRID 107635 반응식
[Br:1][c:2]1[c:3]([CH2:13][NH2:14])[cH:4][c:5]([C:9]([F:10])([F:11])[F:12])[c:6]([CH3:8])[cH:7]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[F:15][C:16]([c:17]1[cH:18][c:19]([CH:20]=[O:21])[cH:22][c:23]([C:25]([F:26])([F:27])[F:28])[cH:24]1)([F:29])[F:30].[Na+:35].[O-:31][C:32]([OH:33])=[O:34]>>[Br:1][c:2]1[c:3]([CH2:13][NH:14][CH2:20][c:19]2[cH:18][c:17]([C:16]([F:15])([F:29])[F:30])[cH:24][c:23]([C:25]([F:26])([F:27])[F:28])[cH:22]2)[cH:4][c:5]([C:9]([F:10])([F:11])[F:12])[c:6]([CH3:8])[cH:7]1
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반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 1140TolueneHCID 8857Ethyl AcetateHCID 1362473,5-Bis(trifluoromethyl)benzaldehydeHCID 58968640Benzenemethanamine, 2-bromo-4-methyl-5-(trifluoromethyl)-

생성물 1

HCID 58968728
N-(2-Bromo-4-methyl-5-(trifluoromethyl)benzyl)(3,5-bis(trifluoromethyl)phenyl)methanamine

출처 및 근거

ORD 기록
ord-50c852ef2c314eac9549fc715cc420c6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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