Propionic Acid → HCID 22252263, compound

HRID 693158Notes

Reaction equation

HRID 693158 reaction equation
[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:1][CH2:2][C:3]([OH:4])=[O:5].[F:30][c:31]1[cH:32][cH:33][c:34](-[c:37]2[cH:38][cH:39][c:40]([O:47][CH3:48])[c:41]3[n:42][c:43]([NH2:46])[o:44][c:45]23)[cH:35][cH:36]1.[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[P-:6]([F:7])([F:8])([F:9])([F:10])([F:11])[F:12].[n:13]1([O:14][C:15]([N:16]([CH3:17])[CH3:18])=[N+:19]([CH3:20])[CH3:21])[c:22]2[n:23][cH:24][cH:25][cH:26][c:27]2[n:28][n:29]1>>[CH3:1][CH2:2][C:3](=[O:5])[NH:46][c:43]1[n:42][c:41]2[c:40]([O:47][CH3:48])[cH:39][cH:38][c:37](-[c:34]3[cH:33][cH:32][c:31]([F:30])[cH:36][cH:35]3)[c:45]2[o:44]1

Participants

8

Reactant 7

HCID 1032Propionic AcidHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 312751,4-DioxaneHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 222522347-(4-Fluoro-phenyl)-4-methoxy-benzooxazol-2-ylamine

Product 1

HCID 22252263HCID 22252263, compound

Sources & evidence

ORD record
ord-9506fa5322334e45bfd03657e893969f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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