Acetate → tert-Butyl 5-fluoro-4-(2-(4-(4-phenylphthalazin-1-ylamino)phenoxy)pyridin-3-yl)pyrimidin-2-ylcarbamate

HRID 2345983Notes

Reaction equation

HRID 2345983 reaction equation
[C:45]([NH2:46])([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52].[C:53](=[O:54])([O-:55])[O-:56].[CH2:1]1[O:2][CH2:3][CH2:4][O:5][CH2:6]1.[CH3:71][OH:72].[Cl:59][CH2:60][Cl:61].[Cl:7][c:8]1[n:9][cH:10][c:11]([F:44])[c:12](-[c:14]2[c:15]([O:20][c:21]3[cH:22][cH:23][c:24]([NH:27][c:28]4[n:29][n:30][c:31](-[c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)[c:32]5[cH:33][cH:34][cH:35][cH:36][c:37]45)[cH:25][cH:26]3)[n:16][cH:17][cH:18][cH:19]2)[n:13]1.[K+:57].[K+:58].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[Pd+2:62]>>[c:8]1([NH:46][C:45]([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[n:9][cH:10][c:11]([F:44])[c:12](-[c:14]2[c:15]([O:20][c:21]3[cH:22][cH:23][c:24]([NH:27][c:28]4[n:29][n:30][c:31](-[c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)[c:32]5[cH:33][cH:34][cH:35][cH:36][c:37]45)[cH:25][cH:26]3)[n:16][cH:17][cH:18][cH:19]2)[n:13]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 887MethanolHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 77922tert-Butyl carbamateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 86614169N-(4-(3-(2-chloro-5-fluoropyrimidin-4-yl)pyridin-2-yloxy)phenyl)-4-phenylphthalazin-1-amine

Product 1

HCID 66731483tert-Butyl 5-fluoro-4-(2-(4-(4-phenylphthalazin-1-ylamino)phenoxy)pyridin-3-yl)pyrimidin-2-ylcarbamate

Sources & evidence

ORD record
ord-aa7aea2ff6f44889bf0155e0db54987d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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