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Hydrochloric Acid → 4-fluoro-N-{(1RS,2SR)-2-hydroxy-2-(4-phenoxyphenyl)-1-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]ethyl}-1-naphthamide

HRID 121295
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인쇄 미리보기

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HRID 121295 반응식
[CH2:47]([N:48]=[C:49]=[N:50][CH2:51][CH2:52][CH2:53][N:54]([CH3:55])[CH3:56])[CH3:57].[CH3:69][C:70]#[N:71].[ClH:46].[F:32][c:33]1[cH:34][cH:35][c:36]([C:43](=[O:44])[OH:45])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]12.[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:9][cH:10]1)[CH2:18][c:19]1[cH:20][c:21]([O:25][C:26]([CH:27]([F:28])[F:29])([F:30])[F:31])[cH:22][cH:23][cH:24]1.[OH2:58].[OH2:72].[OH:59][n:60]1[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([O:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:9][cH:10]1)[CH2:18][c:19]1[cH:20][c:21]([O:25][C:26]([CH:27]([F:28])[F:29])([F:30])[F:31])[cH:22][cH:23][cH:24]1)[C:43]([c:36]1[cH:35][cH:34][c:33]([F:32])[c:42]2[c:37]1[cH:38][cH:39][cH:40][cH:41]2)=[O:44]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 962Water2회HCID 6342AcetonitrileHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 684484-Fluoro-1-naphthoic acidHCID 757711-HydroxybenzotriazoleHCID 22261513
(1RS,2SR)-2-amino-1-(4-(phenyloxy)phenyl)-3-(3-((1,1,2,2-tetrafluoroethyl)oxy)phenyl)-1-propanol

생성물 1

HCID 222618744-fluoro-N-{(1RS,2SR)-2-hydroxy-2-(4-phenoxyphenyl)-1-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]ethyl}-1-naphthamide

출처 및 근거

ORD 기록
ord-689370a84e1949b3a8f3ce06f879cb1b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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