Acetic Acid → HCID 19809483, compound

HRID 2148757Notes

Reaction equation

HRID 2148757 reaction equation
[Br:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[C:15]([O:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29].[CH3:54][C:55](=[O:56])[OH:57].[CH3:58][O:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:78][N:79]([CH3:80])[CH:81]=[O:82].[CH3:83][CH2:84][OH:85].[Cl:86][CH2:87][Cl:88].[H-:38].[H:40][H:41].[NH2:1][c:2]1[o:3][c:4]([C:7]23[CH2:8][CH2:9][CH2:10][N:11]([CH2:12][CH2:13]2)[CH2:14]3)[cH:5][n:6]1.[Na+:39].[O:73]1[CH2:74][CH2:75][CH2:76][CH2:77]1.[OH:66][C:67]([C:68]([F:69])([F:70])[F:71])=[O:72].[c:42]1([CH3:43])[cH:44][cH:45][c:46]([S:47]([O:48][CH3:49])(=[O:50])=[O:51])[cH:52][cH:53]1>>[NH:1]([c:2]1[o:3][c:4]([C:7]23[CH2:8][CH2:9][CH2:10][N:11]([CH2:12][CH2:13]2)[CH2:14]3)[cH:5][n:6]1)[CH3:15]

Participants

15

Reactant 14

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 6645Methyl p-toluenesulfonateHCID 7498Benzyl BromideHCID 7519AnisoleHCID 8028TetrahydrofuranHCID 90495Di-tert-butyl dicarbonateHCID 166653HydrideHCID 19809499HCID 19809499, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 19809483HCID 19809483, compound

Sources & evidence

ORD record
ord-d13e94cae599476fb96cf8b33a3dfae8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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