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

HRID 90411
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HRID 90411 반응식
[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH3:60][C:61]#[N:62].[ClH:38].[F:24][c:25]1[cH:26][cH:27][c:28]([C:35](=[O:36])[OH:37])[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]12.[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([F:12])[c:8]([F:11])[cH:9][cH:10]1)[CH2:13][c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1.[OH2:63].[OH:50][n:51]1[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([F:12])[c:8]([F:11])[cH:9][cH:10]1)[CH2:13][c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1)[C:35]([c:28]1[cH:27][cH:26][c:25]([F:24])[c:34]2[c:29]1[cH:30][cH:31][cH:32][cH:33]2)=[O:36]
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 22261782(1RS,2SR)-2-amino-1-(3,4-difluorophenyl)-3-(4-(trifluoromethyl)phenyl)-1-propanol

생성물 1

HCID 22261390N-((1RS,2SR)-2-(3,4-difluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethyl)-4-fluoro-1-naphthalenecarboxamide

출처 및 근거

ORD 기록
ord-db11b4abcaaa496fb8b0937307ba24eb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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