Citric Acid → 2-(4-methyl-1-piperidyl)-N-[[2-(trifluoromethyl)-1H-indol-5-yl]methyl]-pyrimidine-5-carboxamide

HRID 139681Notes

Reaction equation

HRID 139681 reaction equation
[CH3:25][CH:26]1[CH2:27][CH2:28][N:29]([c:32]2[n:33][cH:34][c:35]([C:38](=[O:39])[OH:40])[cH:36][n:37]2)[CH2:30][CH2:31]1.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[F:50][C:51]([c:52]1[nH:53][c:54]2[cH:55][cH:56][c:57]([CH2:61][NH2:62])[cH:58][c:59]2[cH:60]1)([F:63])[F:64].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH:65][C:66]([CH2:67][C:68]([C:69](=[O:70])[OH:71])([CH2:72][C:73](=[O:74])[OH:75])[OH:76])=[O:77].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH3:25][CH:26]1[CH2:27][CH2:28][N:29]([c:32]2[n:33][cH:34][c:35]([C:38](=[O:40])[NH:62][CH2:61][c:57]3[cH:56][cH:55][c:54]4[nH:53][c:52]([C:51]([F:50])([F:63])[F:64])[cH:60][c:59]4[cH:58]3)[cH:36][n:37]2)[CH2:30][CH2:31]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 65042262-(4-Methyl-piperidin-1-yl)-pyrimidine-5-carboxylic acidHCID 58126817(2-(Trifluoromethyl)-1h-indol-5-yl)methanamine

Product 1

HCID 581268222-(4-methyl-1-piperidyl)-N-[[2-(trifluoromethyl)-1H-indol-5-yl]methyl]-pyrimidine-5-carboxamide

Sources & evidence

ORD record
ord-b30f34cbb7d5406aa17964da4a0dc5f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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