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Hydrochloric Acid → 2-(Benzo[1,3]dioxol-5-yloxy)-N-(2-fluoro-4-hydroxy-benzyl)-nicotinamide

HRID 116743
Notes
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Reaction equation

HRID 116743 reaction equation
[CH3:43][N:44]([CH3:45])[CH2:46][CH2:47][CH2:48][N:49]=[C:50]=[N:51][CH2:52][CH3:53].[CH3:54][CH2:55][N:56]([CH2:57][CH3:58])[CH2:59][CH3:60].[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH3:70][OH:71].[ClH:1].[ClH:42].[Li+:61].[NH2:2][CH2:3][c:4]1[c:5]([F:11])[cH:6][c:7]([OH:10])[cH:8][cH:9]1.[Na+:64].[O:12]1[CH2:13][O:14][c:15]2[c:16]1[cH:17][cH:18][c:19]([O:21][c:22]1[c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29][n:30]1)[cH:20]2.[OH-:62].[OH-:63].[OH2:31].[OH2:72].[OH:32][n:33]1[c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[NH:2]([CH2:3][c:4]1[c:5]([F:11])[cH:6][c:7]([OH:10])[cH:8][cH:9]1)[C:24]([c:23]1[c:22]([O:21][c:19]2[cH:18][cH:17][c:16]3[c:15]([cH:20]2)[O:14][CH2:13][O:12]3)[n:30][cH:29][cH:28][cH:27]1)=[O:25]
ParticipantsSources & evidenceReaction notes

Participants

13

Reactant 12

HCID 313Hydrochloric Acid2×HCID 887MethanolHCID 923Sodium IonHCID 961Hydroxide2×HCID 962Water2×HCID 6228DimethylformamideHCID 8471Triethylamine
HCID 15908
1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
HCID 28486Lithium Cation
HCID 757711-Hydroxybenzotriazole
HCID 27368792-(1,3-Benzodioxol-5-yloxy)pyridine-3-carboxylic acid
HCID 208726234-(Aminomethyl)-3-fluorophenol

Product 1

HCID 226101182-(Benzo[1,3]dioxol-5-yloxy)-N-(2-fluoro-4-hydroxy-benzyl)-nicotinamide

Sources & evidence

ORD record
ord-de2df9635663414788fb22fd25746e8a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes