Dimethylformamide → 4-{5-[5-(4-Methoxy-phenyl)-pyrimidin-2-ylamino]-pyridine-2-carbonyl}-piperazine-1-carboxylic acid tert-butyl ester

HRID 156937Notes

Reaction equation

HRID 156937 reaction equation
[C:58]([CH3:59])([CH3:60])([CH3:61])[O:62][C:63](=[O:64])[N:65]1[CH2:66][CH2:67][NH:68][CH2:69][CH2:70]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][n:11][c:12]([NH:15][c:16]3[cH:17][cH:18][c:19]([C:22](=[O:23])[OH:24])[n:20][cH:21]3)[n:13][cH:14]2)[cH:7][cH:8]1.[CH:49]([N:50]([CH2:51][CH3:52])[CH:53]([CH3:54])[CH3:55])([CH3:56])[CH3:57].[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][n:11][c:12]([NH:15][c:16]3[cH:17][cH:18][c:19]([C:22](=[O:24])[N:68]4[CH2:67][CH2:66][N:65]([C:63]([O:62][C:58]([CH3:59])([CH3:60])[CH3:61])=[O:64])[CH2:70][CH2:69]4)[n:20][cH:21]3)[n:13][cH:14]2)[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 143452tert-Butyl piperazine-1-carboxylateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 581718455-[5-(4-Methoxy-phenyl)-pyrimidin-2-ylamino]-pyridine-2-carboxylic acid

Product 1

HCID 581718644-{5-[5-(4-Methoxy-phenyl)-pyrimidin-2-ylamino]-pyridine-2-carbonyl}-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-5456594c0922458c8d1ea91a1fece866
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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