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Dimethyl Sulfoxide → Methyl[3-(aminocarbonyl)-5-(trifluoromethyl)benzyl]{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamate

HRID 669641
Notes
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Reaction equation

HRID 669641 reaction equation
[CH3:1][O:2][C:3]([N:4]([CH2:5][c:6]1[c:7](-[c:16]2[c:17]([O:25][CH3:26])[cH:18][cH:19][c:20]([CH:22]([CH3:23])[CH3:24])[cH:21]2)[cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)[CH2:27][c:28]1[cH:29][c:30]([C:38]#[N:39])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)=[O:40].[CH3:50][S:51]([CH3:52])=[O:53].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[K+:41].[K+:42].[O-:43][C:44]([O-:45])=[O:46].[OH2:49].[OH:47][OH:48]>>[CH3:1][O:2][C:3]([N:4]([CH2:5][c:6]1[c:7](-[c:16]2[c:17]([O:25][CH3:26])[cH:18][cH:19][c:20]([CH:22]([CH3:23])[CH3:24])[cH:21]2)[cH:8][cH:9][c:10]([C:12]([F:13])([F:14])[F:15])[cH:11]1)[CH2:27][c:28]1[cH:29][c:30]([C:38]([NH2:39])=[O:43])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)=[O:40]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 784Hydrogen PeroxideHCID 813Potassium Cation2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 11664112
Methyl[3-cyano-5-(trifluoromethyl)benzyl]{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamate

Product 1

HCID 11714004Methyl[3-(aminocarbonyl)-5-(trifluoromethyl)benzyl]{[5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}carbamate

Sources & evidence

ORD record
ord-dd274b616fd24f008f7a6d76202a4e9a
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