Propionic Acid → HCID 25119282, compound

HRID 109147Notes

Reaction equation

HRID 109147 reaction equation
[CH3:38][CH2:39][C:40]([OH:41])=[O:42].[CH3:67][C:68]([N:69]([CH3:70])[CH3:71])=[O:72].[CH:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH2:34][CH3:35])([CH3:36])[CH3:37].[NH2:1][c:2]1[n:3][nH:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][c:13](=[O:28])[nH:14][c:15](-[c:17]4[c:18]([O:23][CH2:24][CH:25]([CH3:26])[CH3:27])[cH:19][cH:20][cH:21][cH:22]4)[cH:16]3)[cH:9][c:10]12.[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][C:52]([N:53]([CH3:54])[CH3:55])=[N+:56]([CH3:57])[CH3:58])[c:59]2[n:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[NH:1]([c:2]1[n:3][nH:4][c:5]2[cH:6][cH:7][c:8](-[c:11]3[n:12][c:13](=[O:28])[nH:14][c:15](-[c:17]4[c:18]([O:23][CH2:24][CH:25]([CH3:26])[CH3:27])[cH:19][cH:20][cH:21][cH:22]4)[cH:16]3)[cH:9][c:10]12)[C:40]([CH2:39][CH3:38])=[O:41]

Participants

7

Reactant 6

HCID 1032Propionic AcidHCID 9886HexafluorophosphateHCID 31374DimethylacetamideHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 251213724-(3-amino-1H-indazol-5-yl)-6-(2-isobutoxyphenyl)pyrimidin-2(1H)-one

Product 1

HCID 25119282HCID 25119282, compound

Sources & evidence

ORD record
ord-b3ae199bdfe54cf087cd184bf99694f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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