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Hydrochloric Acid → 4-(4-fluorophenyl)-1-methyl-N-[1-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]ethyl]indole-6-carboxamide

HRID 1218850
Notes
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Reaction equation

HRID 1218850 reaction equation
[CH3:37][N:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1.[CH3:45][N:46]([CH3:47])[CH2:48][CH2:49][CH2:50][N:51]=[C:52]=[N:53][CH2:54][CH3:55].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[ClH:22].[ClH:44].[F:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]3[cH:11][cH:12][n:13]([CH3:21])[c:14]3[cH:15][c:16]([C:18](=[O:19])[OH:20])[cH:17]2)[cH:7][cH:8]1.[Na:1].[O-:23][n+:24]1[cH:25][c:26]([CH:34]([CH3:35])[NH2:36])[cH:27][cH:28][c:29]1[C:30]([F:31])([F:32])[F:33].[OH:56][n:57]1[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[F:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]3[cH:11][cH:12][n:13]([CH3:21])[c:14]3[cH:15][c:16]([C:18](=[O:19])[NH:36][CH:34]([c:26]3[cH:25][n+:24]([O-:23])[c:29]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:27]3)[CH3:35])[cH:17]2)[cH:7][cH:8]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 181649HOAtHCID 5360545SodiumHCID 66661326
4-(4-fluorophenyl)-1-methyl-1H-indole-6-carboxylic acid
HCID 66697576HCID 66697576, compound

Product 1

HCID 1784647044-(4-fluorophenyl)-1-methyl-N-[1-[1-oxido-6-(trifluoromethyl)pyridin-1-ium-3-yl]ethyl]indole-6-carboxamide

Sources & evidence

ORD record
ord-34649481aeb14879936aa664fda63e9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes