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Acetaldehyde → N-[3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)-4-(2-ethylamino-2-methyl-propoxy)-phenyl]-3-trifluoromethyl-benzamide

HRID 836673
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HRID 836673 반응식
[C:1]([CH3:2])([O:3][BH-:4]([O:5][C:6](=[O:7])[CH3:8])[O:9][C:10](=[O:11])[CH3:12])=[O:13].[C:68](=[O:69])([OH:70])[O-:71].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH:47](=[O:48])[CH3:49].[NH2:15][C:16]([CH2:17][O:18][c:19]1[c:20](-[c:38]2[n:39]([CH3:44])[n:40][cH:41][c:42]2[Cl:43])[cH:21][c:22]([NH:25][C:26]([c:27]2[cH:28][c:29]([C:33]([F:34])([F:35])[F:36])[cH:30][cH:31][cH:32]2)=[O:37])[cH:23][cH:24]1)([CH3:45])[CH3:46].[Na+:14].[Na+:72].[O-:50][C:51]([C:52]([F:53])([F:54])[F:55])=[O:56]>>[CH2:1]([CH3:2])[NH:15][C:16]([CH2:17][O:18][c:19]1[c:20](-[c:38]2[n:39]([CH3:44])[n:40][cH:41][c:42]2[Cl:43])[cH:21][c:22]([NH:25][C:26]([c:27]2[cH:28][c:29]([C:33]([F:34])([F:35])[F:36])[cH:30][cH:31][cH:32]2)=[O:37])[cH:23][cH:24]1)([CH3:45])[CH3:46]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 177AcetaldehydeHCID 769Bicarbonate IonHCID 923Sodium Ion2회HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 84468TrifluoroacetateHCID 2724942Triacetoxyborohydride
HCID 57814739
N-(4-(2-amino-2-methylpropoxy)-3-(4-chloro-2-methyl-2H-pyrazol-3-yl)phenyl)-3-(trifluoromethyl)benzamide

생성물 1

HCID 24888500N-[3-(4-Chloro-2-methyl-2H-pyrazol-3-yl)-4-(2-ethylamino-2-methyl-propoxy)-phenyl]-3-trifluoromethyl-benzamide

출처 및 근거

ORD 기록
ord-6bb7007a55fe4d00af2aa695bb5e743c
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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