Hydroxide → 4-(1-Methylazetidin-3-yl)piperazine-1-carboxylic acid [4-(4-amino-2-fluorophenoxy)pyridin-2-yl]amide

HRID 1236789Notes

Reaction equation

HRID 1236789 reaction equation
[C+4:37].[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([NH:11][C:12](=[O:13])[N:14]3[CH2:15][CH2:16][N:17]([CH:20]4[CH2:21][N:22]([CH3:24])[CH2:23]4)[CH2:18][CH2:19]3)[n:8][cH:9][cH:10]2)[cH:25][cH:26][c:27]([N+:29]([O-:30])=[O:31])[cH:28]1.[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1.[OH-:38].[OH-:40].[OH-:41].[OH-:42].[OH-:43].[OH-:44].[Pd+2:39]>>[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([NH:11][C:12](=[O:13])[N:14]3[CH2:15][CH2:16][N:17]([CH:20]4[CH2:21][N:22]([CH3:24])[CH2:23]4)[CH2:18][CH2:19]3)[n:8][cH:9][cH:10]2)[cH:25][cH:26][c:27]([NH2:29])[cH:28]1

Participants

6

Reactant 5

HCID 961Hydroxide6×HCID 8028TetrahydrofuranHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 576774134-(1-Methyl-azetidin-3-yl)piperazine-1-carboxylic acid [4-(2-fluoro-4nitrophenoxy)pyridin-2-yl]amideHCID 178420935HCID 178420935, compound

Product 1

HCID 576776664-(1-Methylazetidin-3-yl)piperazine-1-carboxylic acid [4-(4-amino-2-fluorophenoxy)pyridin-2-yl]amide

Sources & evidence

ORD record
ord-d1ae22626c5a4c70b5f6e99c4f25cfe6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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