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Hydroxide → 2-({[4-(2-{Ethyl[4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)phenyl]thio}methyl)benzoic acid

HRID 1132152
Notes
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Reaction equation

HRID 1132152 reaction equation
[CH2:1]([CH3:2])[N:3]([C:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([S:12][CH2:13][c:14]2[c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21][cH:22][cH:23]2)[cH:10][cH:11]1)=[O:24])[CH2:25][c:26]1[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]1.[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[Li+:36].[OH-:37].[OH2:43]>>[CH2:1]([CH3:2])[N:3]([C:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([S:12][CH2:13][c:14]2[c:15]([C:16](=[O:17])[OH:18])[cH:20][cH:21][cH:22][cH:23]2)[cH:10][cH:11]1)=[O:24])[CH2:25][c:26]1[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]1
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 69120484Methyl 2-({[4-(2-{ethyl[4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)phenyl]thio}methyl)benzoate

Product 1

HCID 9805470
2-({[4-(2-{Ethyl[4-(trifluoromethyl)benzyl]amino}-2-oxoethyl)phenyl]thio}methyl)benzoic acid

Sources & evidence

ORD record
ord-f3d9b528bbac41f591886f20611395c5
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