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Hydrochloric Acid → [4-(2-Azepan-1-yl-ethoxy)-phenyl]-[6-hydroxy-2-(2,4,6-trifluoro-phenyl)naphthalen-1-yl]-methanone

HRID 2339567
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HRID 2339567 반응식
[B:41]([Br:42])([Br:43])[Br:44].[C:45](=[O:46])([OH:47])[O-:48].[CH3:53][OH:54].[Cl:50][CH2:51][Cl:52].[ClH:40].[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[c:19]3[c:20](-[c:31]4[c:32]([F:39])[cH:33][c:34]([F:38])[cH:35][c:36]4[F:37])[cH:21][cH:22][c:23]4[cH:24][c:25]([O:29][CH3:30])[cH:26][cH:27][c:28]34)[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[Na+:49]>>[N:1]1([CH2:8][CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[c:19]3[c:20](-[c:31]4[c:32]([F:39])[cH:33][c:34]([F:38])[cH:35][c:36]4[F:37])[cH:21][cH:22][c:23]4[cH:24][c:25]([OH:29])[cH:26][cH:27][c:28]34)[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium IonHCID 6344DichloromethaneHCID 25134Boron tribromideHCID 57552563[4-(2-Azepan-1-yl-ethoxy)-phenyl]-[6-methoxy-2-(2,4,6-trifluoro phenyl)-naphthalen-1-yl]-methanone

생성물

1
HCID 67004267[4-(2-Azepan-1-yl-ethoxy)-phenyl]-[6-hydroxy-2-(2,4,6-trifluoro-phenyl)naphthalen-1-yl]-methanone

출처 및 근거

ORD 기록
ord-0fb9b54514134f5d990b16bf7155dc39
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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