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Hydrochloric Acid → Ethyl 2-amino-4-bromo-6-(trifluoromethyl)phenyl[3-(trifluoromethyl)benzyl]carbamate

HRID 99942
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HRID 99942 반응식
[BH4-:32].[Br:1][c:2]1[cH:3][c:4]([N+:29]([O-:30])=[O:31])[c:5]([N:12]([C:13]([O:14][CH2:15][CH3:16])=[O:17])[CH2:18][c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)[c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[C:35](=[O:36])([OH:37])[O-:38].[CH3:40][OH:41].[ClH:34].[Na+:33].[Na+:39].[Ni:48]([Cl:49])[Cl:50].[OH2:42].[OH2:43].[OH2:44].[OH2:45].[OH2:46].[OH2:47]>>[Br:1][c:2]1[cH:3][c:4]([NH2:29])[c:5]([N:12]([C:13]([O:14][CH2:15][CH3:16])=[O:17])[CH2:18][c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)[c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium Ion2회HCID 962Water6회HCID 24385Nickel DichlorideHCID 28123Borohydride
HCID 22327411
Ethyl 4-bromo-2-nitro-6-(trifluoromethyl)phenyl[3-(trifluoromethyl)benzyl]carbamate

생성물 1

HCID 22327386Ethyl 2-amino-4-bromo-6-(trifluoromethyl)phenyl[3-(trifluoromethyl)benzyl]carbamate

출처 및 근거

ORD 기록
ord-f54142d0994a484487c536c74a94256b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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