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Hydrochloric Acid → 4-fluoro-N-((1RS,2SR)-2-(3-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-1-naphthalenecarboxamide

HRID 145682
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HRID 145682 반응식
[CH2:38]([N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[CH3:48].[CH3:59][C:60]#[N:61].[ClH:37].[F:23][c:24]1[cH:25][cH:26][c:27]([C:34](=[O:35])[OH:36])[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12.[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([F:11])[cH:8][cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1.[OH2:62].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([F:11])[cH:8][cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1)[C:34]([c:27]1[cH:26][cH:25][c:24]([F:23])[c:33]2[c:28]1[cH:29][cH:30][cH:31][cH:32]2)=[O:35]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 684484-Fluoro-1-naphthoic acidHCID 757711-HydroxybenzotriazoleHCID 22261501(1RS,2SR)-2-amino-1-(3-fluorophenyl)-3-(4-(trifluoromethyl)phenyl)-1-propanol

생성물 1

HCID 222615824-fluoro-N-((1RS,2SR)-2-(3-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-1-naphthalenecarboxamide

출처 및 근거

ORD 기록
ord-87bfec7ee03b4459a9787b68ed549053
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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