Bicarbonate Ion → Methyl 2-[1-[(2,5-dimethylphenyl)acetyl]-4-piperidinyl]-4,5-dihydro-4-oxazolecarboxylate

HRID 1574366Notes

Reaction equation

HRID 1574366 reaction equation
[C:56]([Cl:57])([Cl:58])([Cl:59])[Cl:60].[C:61](=[O:62])([OH:63])[O-:64].[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[O:7])[CH:8]1[CH2:9][CH2:10][N:11]([C:14]([CH2:15][c:16]2[c:17]([CH3:23])[cH:18][cH:19][c:20]([CH3:22])[cH:21]2)=[O:24])[CH2:12][CH2:13]1)[CH2:25][OH:26])=[O:27].[CH3:66][C:67]#[N:68].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:76][CH2:77][Cl:78].[Na+:65].[OH2:75].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH3:1][O:2][C:3]([CH:4]1[N:5]=[C:6]([CH:8]2[CH2:9][CH2:10][N:11]([C:14]([CH2:15][c:16]3[c:17]([CH3:23])[cH:18][cH:19][c:20]([CH3:22])[cH:21]3)=[O:24])[CH2:12][CH2:13]2)[O:7][CH2:25]1)=[O:27]

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 5943Carbon TetrachlorideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 81531DiisopropylethylamineHCID 67461522N-[[1-[(2,5-dimethylphenyl)acetyl]-4-piperidinyl]carbonyl]-DL-serine methyl ester

Product 1

HCID 67460115Methyl 2-[1-[(2,5-dimethylphenyl)acetyl]-4-piperidinyl]-4,5-dihydro-4-oxazolecarboxylate

Sources & evidence

ORD record
ord-19d0689a04064a8db544f0fd56b64e3c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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