Hydroxide → 4-(1-Methylazetidin-3-yl)piperazine-1-carboxylic acid [6-(4-amino-2-fluorophenoxy)pyrimidin-4-yl]amide

HRID 282515Notes

Reaction equation

HRID 282515 reaction equation
[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][n: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-:37].[OH-:39].[Pd+2:38]>>[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][n:10]2)[cH:25][cH:26][c:27]([NH2:29])[cH:28]1

Participants

5

Reactant 4

HCID 961Hydroxide2×HCID 8028TetrahydrofuranHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 576773444-(1-Methylazetidin-3-yl)piperazine-1-carboxylic acid [6-(2-fluoro-4-nitrophenoxy)pyrimidin-4-yl]amide

Product 1

HCID 576776494-(1-Methylazetidin-3-yl)piperazine-1-carboxylic acid [6-(4-amino-2-fluorophenoxy)pyrimidin-4-yl]amide

Sources & evidence

ORD record
ord-fe599e4b23be4dca92f49a6cf1492e7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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