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Sodium Ion → Lumateperone Impurity 78

HRID 1540896
Notes
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Reaction equation

HRID 1540896 reaction equation
[CH3:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[H-:1].[I:25][CH3:26].[Na+:2].[O:3]=[C:4]1[NH:5][c:6]2[cH:7][cH:8][cH:9][c:10]3[c:11]2[N:12]([CH2:13]1)[CH:14]1[CH:15]3[CH2:16][N:17]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:18][CH2:19]1>>[O:3]=[C:4]1[N:5]([CH3:26])[c:6]2[cH:7][cH:8][cH:9][c:10]3[c:11]2[N:12]([CH2:13]1)[CH:14]1[CH:15]3[CH2:16][N:17]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[CH2:18][CH2:19]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 923Sodium IonHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 8058HexaneHCID 166653HydrideHCID 22036762ethyl (10R,15S)-3-oxo-1,4,12-triazatetracyclo[7.6.1.0,(1).0(1),(1)]hexadeca-5,7,9(16)-triene-12-carboxylate

Product 1

HCID 22735535Lumateperone Impurity 78

Sources & evidence

ORD record
ord-3c36d7f891f3421583074dbf99309b14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes