Nicotinic Acid → HCID 67330550, compound

HRID 697723Notes

Reaction equation

HRID 697723 reaction equation
[CH3:65][CH2:66][O:67][C:68]([CH3:69])=[O:70].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[F:1][c:2]1[cH:3][c:4]([CH:8]2[N:9]([c:13]3[n:14][c:15]4[n:16]([cH:17][cH:18]3)[n:19][cH:20][c:21]4[NH2:22])[CH2:10][CH2:11][CH2:12]2)[cH:5][cH:6][cH:7]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH:23][C:24](=[O:25])[c:26]1[cH:27][cH:28][cH:29][n:30][cH:31]1.[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[F:1][c:2]1[cH:3][c:4]([CH:8]2[N:9]([c:13]3[n:14][c:15]4[n:16]([cH:17][cH:18]3)[n:19][cH:20][c:21]4[NH:22][C:24](=[O:23])[c:26]3[cH:27][cH:28][cH:29][n:30][cH:31]3)[CH2:10][CH2:11][CH2:12]2)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 938Nicotinic AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 673295365-[2-(3-Fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine

Product 1

HCID 67330550HCID 67330550, compound

Sources & evidence

ORD record
ord-69e44b48f46a44158f2f432a692d711e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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