Bromide ion → N-(2-{4-[3-isobutyryl-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenyl}ethyl)urea

HRID 695217Notes

Reaction equation

HRID 695217 reaction equation
[Br-:1].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH:2]([CH3:3])([CH3:4])[Mg+:5].[NH2:6][C:7](=[O:8])[NH:9][CH2:10][CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[cH:19][c:20]([C:31](=[O:32])[N:33]([O:34][CH3:35])[CH3:36])[n:21][n:22]2-[c:23]2[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[cH:16][cH:17]1>>[CH:2]([CH3:3])([CH3:4])[C:31]([c:20]1[cH:19][c:18](-[c:15]2[cH:14][cH:13][c:12]([CH2:11][CH2:10][NH:9][C:7]([NH2:6])=[O:8])[cH:17][cH:16]2)[n:22](-[c:23]2[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[n:21]1)=[O:32]

Participants

5

Reactant 4

HCID 259Bromide ionHCID 8028TetrahydrofuranHCID 865928625-(4-{2-[(aminocarbonyl)-amino]ethyl}phenyl)-N-methoxy-1-(4-methoxyphenyl)-N-methyl-1H-pyrazole-3-carboxamideHCID 178461726HCID 178461726, compound

Product 1

HCID 21091090N-(2-{4-[3-isobutyryl-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenyl}ethyl)urea

Sources & evidence

ORD record
ord-20f6d8ed1df6473f8dd00ab690ad95c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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