Hydroxide → 3-[4-(4-Aminophenoxy)pyridin-2-yl]-1-[1-(2-dimethylaminoethyl)piperidin-4-yl]-1-methylurea

HRID 670324Notes

Reaction equation

HRID 670324 reaction equation
[C+4:38].[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([N:11]([C:12](=[O:13])[NH:14][c:15]2[n:16][cH:17][cH:18][c:19]([O:21][c:22]3[cH:23][cH:24][c:25]([N+:28]([O-:29])=[O:30])[cH:26][cH:27]3)[cH:20]2)[CH3:31])[CH2:9][CH2:10]1)[CH3:32].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH-:39].[OH-:41].[OH-:42].[OH-:43].[OH-:44].[OH-:45].[Pd+2:40]>>[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([N:11]([C:12](=[O:13])[NH:14][c:15]2[n:16][cH:17][cH:18][c:19]([O:21][c:22]3[cH:23][cH:24][c:25]([NH2:28])[cH:26][cH:27]3)[cH:20]2)[CH3:31])[CH2:9][CH2:10]1)[CH3:32]

Participants

6

Reactant 5

HCID 961Hydroxide6×HCID 8028TetrahydrofuranHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 231530861-[1-(2-Dimethylaminoethyl)piperidin-4-yl]-1-methyl-3-[4-(4-nitrophenoxy)pyridin-2-yl]ureaHCID 178420935HCID 178420935, compound

Product 1

HCID 231531743-[4-(4-Aminophenoxy)pyridin-2-yl]-1-[1-(2-dimethylaminoethyl)piperidin-4-yl]-1-methylurea

Sources & evidence

ORD record
ord-eb5ecc629d60414ca5d848972d32d36b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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