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Hydrochloric Acid → Methyl 3-[4-[[4-[[5-(2-phenylethenyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoate

HRID 1122509
Notes
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Reaction equation

HRID 1122509 reaction equation
[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([CH2:32][O:33][c:34]2[cH:35][cH:36][c:37]([CH2:40][CH2:41][C:42](=[O:43])[O:44][CH3:45])[cH:38][cH:39]2)[cH:46][cH:47]1.[ClH:48].[H-:24].[Na+:25].[c:1]1([CH:7]=[CH:8][c:9]2[cH:10][c:11](-[c:14]3[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[n:12][nH:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]=[CH:8][c:9]2[cH:10][c:11](-[c:14]3[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[n:12][n:13]2[CH2:27][c:28]2[cH:29][cH:30][c:31]([CH2:32][O:33][c:34]3[cH:35][cH:36][c:37]([CH2:40][CH2:41][C:42](=[O:43])[O:44][CH3:45])[cH:38][cH:39]3)[cH:46][cH:47]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 6228DimethylformamideHCID 166653HydrideHCID 23082857Methyl 3-(4-([4-(chloromethyl)benzyl]oxy)phenyl)propanoateHCID 675495045-(2-phenylethenyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole

Product 1

HCID 67549259
Methyl 3-[4-[[4-[[5-(2-phenylethenyl)-3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methyl]phenyl]methoxy]phenyl]propanoate

Sources & evidence

ORD record
ord-b521bb5c53b744a0af85ba489a2be937
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes