Butyric Acid → HCID 69039288, compound

HRID 174670Notes

Reaction equation

HRID 174670 reaction equation
[CH3:23][CH2:24][CH2:25][C:26]([OH:27])=[O:28].[CH:53]([N:54]([CH:55]([CH3:56])[CH3:57])[CH2:58][CH3:59])([CH3:60])[CH3:61].[N:1]1([CH:17]2[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]2)[CH2:2][CH2:3][CH:4]([N:7]2[C:8](=[O:16])[NH:9][CH:10]3[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15]3)[CH2:5][CH2:6]1.[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[n:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[N:1]1([CH:17]2[CH2:18][CH2:19][N:20]([C:26]([CH2:25][CH2:24][CH3:23])=[O:27])[CH2:21][CH2:22]2)[CH2:2][CH2:3][CH:4]([N:7]2[C:8](=[O:16])[NH:9][CH:10]3[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15]3)[CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 264Butyric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 690376871-(1,4'-bipiperidin-4-yl)octahydro-2H-benzimidazol-2-one

Product 1

HCID 69039288HCID 69039288, compound

Sources & evidence

ORD record
ord-b0170ed3e74d4de180daccb8182dd272
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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