Ethanol → HCID 178481127, compound

HRID 1203934Notes

Reaction equation

HRID 1203934 reaction equation
[CH2:27]=[O:28].[CH3:29][CH2:30][OH:31].[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:12](=[O:13])[CH:14]3[NH:15][CH2:16][CH:17]([O:19][c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[CH2:18]3)[CH2:9][CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1.[Na+:33].[OH-:32]>>[CH:1]1([N:5]2[CH2:6][CH2:7][N:8]([C:12](=[O:13])[CH:14]3[N:15]([CH3:27])[CH2:16][CH:17]([O:19][c:20]4[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]4)[CH2:18]3)[CH2:9][CH2:10][CH2:11]2)[CH2:2][CH2:3][CH2:4]1

Participants

6

Reactant 5

HCID 702EthanolHCID 712FormaldehydeHCID 923Sodium ionHCID 961HydroxideHCID 56676397(4-Cyclobutyl-1,4-diazepan-1-yl)-[4-(4-fluorophenoxy)pyrrolidin-2-yl]methanone

Product 1

HCID 178481127HCID 178481127, compound

Sources & evidence

ORD record
ord-f4e5af0d5e4b4051997358dc4899d972
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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