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

HRID 669882
Notes
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Reaction equation

HRID 669882 reaction equation
[B:40]([Br:41])([Br:42])[Br:43].[C:44](=[O:45])([OH:46])[O-:47].[CH2:49]([Cl:50])[Cl:51].[CH:52]([OH:53])([CH3:54])[CH3:55].[CH:56]([Cl:57])([Cl:58])[Cl:59].[ClH:39].[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:38])[cH:33][cH:34][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+:48]>>[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:38])[cH:33][cH:34][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
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium IonHCID 3776IsopropanolHCID 6212ChloroformHCID 6344DichloromethaneHCID 25134Boron tribromide
HCID 57552543
[4-(2-Azepan-1-yl-ethoxy)-phenyl]-[2-(2,6-difluorophenyl)-6-methoxy-naphthalen-1-yl]-methanone

Product 1

HCID 67004735[4-(2-Azepan-1-yl-ethoxy)-phenyl]-[2-(2,6-difluoro-phenyl)-6-hydroxy-naphthalen-1-yl]-methanone

Sources & evidence

ORD record
ord-d4a2fd0a8ffd49eab7e59ba4e4c758d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes