Dimethyl Sulfoxide → Ethyl 4-(1,4-diazepan-1-yl)benzoate

HRID 2162998Notes

Reaction equation

HRID 2162998 reaction equation
[CH3:20][S:21]([CH3:22])=[O:23].[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1.[NH:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18][CH2:19]1>>[c:2]1([N:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18][CH2:19]2)[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1

Participants

4

Reactant 3

HCID 679Dimethyl SulfoxideHCID 67976Benzoic acid, 4-fluoro-, ethyl esterHCID 68163Hexahydro-1,4-diazepine

Product 1

HCID 18425301Ethyl 4-(1,4-diazepan-1-yl)benzoate

Sources & evidence

ORD record
ord-60e45e1f13dc4a46b3dbc867b117233d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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