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

HRID 1225182Notes

Reaction equation

HRID 1225182 reaction equation
[CH3:23][S:24]([CH3:25])=[O:26].[CH:13]([CH3:14])([CH3:15])[N:16]1[CH2:17][CH2:18][NH:19][CH2:20][CH2:21][CH2:22]1.[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.[OH2:27]>>[c:2]1([N:19]2[CH2:18][CH2:17][N:16]([CH:13]([CH3:14])[CH3:15])[CH2:22][CH2:21][CH2:20]2)[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 67976Benzoic acid, 4-fluoro-, ethyl esterHCID 122365131-(Propan-2-yl)-1,4-diazepane

Product 1

HCID 66589777Ethyl 4-(4-isopropyl-1,4-diazepan-1-yl)benzoate

Sources & evidence

ORD record
ord-149ca9f063054c4badf5a610d71bb8bb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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