Tert-butyl acetoacetate → HCID 87142922, compound

HRID 120641Notes

Reaction equation

HRID 120641 reaction equation
[C:52]([CH2:53][C:54](=[O:55])[CH3:56])(=[O:57])[O:58][C:59]([CH3:60])([CH3:61])[CH3:62].[CH3:1][O:2][C:3](=[O:4])[CH:5]1[NH:6][CH2:7][CH:8]([S:10](=[O:11])(=[O:12])[c:13]2[c:14]([C:25]([F:26])([F:27])[F:28])[cH:15][c:16]([O:19][CH2:20][C:21]([F:22])([F:23])[F:24])[cH:17][cH:18]2)[CH2:9]1.[CH3:29][O:30][C:31]([CH:32]1[CH2:33][CH:34]([S:35]([c:36]2[cH:37][cH:38][c:39]([F:40])[cH:41][c:42]2[C:43]([F:44])([F:45])[F:46])(=[O:47])=[O:48])[CH2:49][NH:50]1)=[O:51].[CH3:63][O:64][C:65]([CH:66]1[CH2:67][CH:68]([S:69]([c:70]2[cH:71][cH:72][c:73]([F:74])[cH:75][c:76]2[C:77]([F:78])([F:79])[F:80])(=[O:81])=[O:82])[CH2:83][N:84]1[C:85](=[O:86])[CH2:87][C:88](=[O:89])[CH3:90])=[O:91]>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([C:52]([CH2:53][C:54](=[O:55])[CH3:56])=[O:57])[CH2:7][CH:8]([S:10](=[O:11])(=[O:12])[c:13]2[c:14]([C:25]([F:26])([F:27])[F:28])[cH:15][c:16]([O:19][CH2:20][C:21]([F:22])([F:23])[F:24])[cH:17][cH:18]2)[CH2:9]1

Participants

5

Reactant 4

HCID 15538Tert-butyl acetoacetateHCID 153986245HCID 153986245, compoundHCID 178498667HCID 178498667, compoundHCID 178498670HCID 178498670, compound

Product 1

HCID 87142922HCID 87142922, compound

Sources & evidence

ORD record
ord-921bca251b2e4631b876f106fea01424
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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