Acetic Acid → HCID 86676260, compound

HRID 2318292Notes

Reaction equation

HRID 2318292 reaction equation
[C:45]([CH3:46])([CH3:47])([CH3:48])[Si:49]([O:50][CH2:51][CH2:52][N:53]1[C:54](=[O:68])[CH2:55][c:56]2[c:57]([cH:64][cH:65][cH:66][cH:67]2)-[c:58]2[c:59]1[n:60][cH:61][cH:62][cH:63]2)([CH3:69])[CH3:70].[CH2:40]([Li:41])[CH2:42][CH2:43][CH3:44].[CH3:1][CH:2]([c:3]1[cH:4][c:5]([CH:6]([CH3:7])[CH3:8])[cH:9][c:10]([CH:11]([CH3:12])[CH3:13])[c:14]1[S:15]([N:16]=[N+:17]=[N-:18])(=[O:19])=[O:20])[CH3:21].[CH3:71][C:72](=[O:73])[OH:74].[CH:33]([NH:34][CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[KH:32].[N-:29]=[N+:30]=[N-:31].[Na+:22].[Na+:23].[O-:24][S:25](=[O:26])(=[O:27])[O-:28].[O:75]1[CH2:76][CH2:77][CH2:78][CH2:79]1>>[N:29](=[N+:30]=[N-:31])[CH:55]1[C:54](=[O:68])[N:53]([CH2:52][CH2:51][O:50][Si:49]([C:45]([CH3:46])([CH3:47])[CH3:48])([CH3:69])[CH3:70])[c:59]2[c:58]([cH:63][cH:62][cH:61][n:60]2)-[c:57]2[c:56]1[cH:67][cH:66][cH:65][cH:64]2

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 1117Sulfate IonHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 33558AzideHCID 3717072,4,6-Triisopropylbenzenesulfonyl azideHCID 712371035-[2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethyl]-5,7-dihydro-6H-pyrido[3,2-a][3]benzazepin-6-oneHCID 178418339ButyllithiumHCID 178506623HCID 178506623, compound

Product 1

HCID 86676260HCID 86676260, compound

Sources & evidence

ORD record
ord-a25da8d27ac84b62937bd439ae9d1922
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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