Butyric Acid → HCID 57489439, compound

HRID 213919Notes

Reaction equation

HRID 213919 reaction equation
[CH2:31]([N:32]([CH2:33][CH3:34])[CH2:35][CH3:36])[CH3:37].[CH3:1][CH2:2][CH2:3][C:4]([OH:5])=[O:6].[Cl:39][c:40]1[cH:41][c:42]([C:48]2([C:64]([F:65])([F:66])[F:67])[CH2:49][C:50]([c:53]3[cH:54][cH:55][c:56]([C:59]4([F:63])[CH2:60][NH:61][CH2:62]4)[cH:57][cH:58]3)=[N:51][O:52]2)[cH:43][c:44]([Cl:47])[c:45]1[F:46].[ClH:38].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:7]([F:8])([F:9])([F:10])([F:11])([F:12])[F:13].[n:14]1([O:15][C:16]([N:17]([CH3:18])[CH3:19])=[N+:20]([CH3:21])[CH3:22])[c:23]2[n:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1>>[CH3:1][CH2:2][CH2:3][C:4](=[O:6])[N:61]1[CH2:60][C:59]([c:56]2[cH:55][cH:54][c:53]([C:50]3=[N:51][O:52][C:48]([c:42]4[cH:41][c:40]([Cl:39])[c:45]([F:46])[c:44]([Cl:47])[cH:43]4)([C:64]([F:65])([F:66])[F:67])[CH2:49]3)[cH:58][cH:57]2)([F:63])[CH2:62]1

Participants

8

Reactant 7

HCID 264Butyric AcidHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58079776HCID 58079776, compound

Product 1

HCID 57489439HCID 57489439, compound

Sources & evidence

ORD record
ord-468f54e4946d4d3f9486bcc7ad5e2230
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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