Acetic Acid → 2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-(3-hydroxypropoxy)phenyl]butan-2-yl]carbamate

HRID 1117929Notes

Reaction equation

HRID 1117929 reaction equation
[C:53]([OH:54])(=[O:55])[CH3:56].[CH2:63]([N+:64]([CH2:65][CH2:66][CH2:67][CH3:68])([CH2:69][CH2:70][CH2:71][CH3:72])[CH2:73][CH2:74][CH2:75][CH3:76])[CH2:77][CH2:78][CH3:79].[F-:62].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]([CH2:14][CH:15]([CH:16]([CH2:17][c:18]1[cH:19][cH:20][c:21]([O:24][CH2:25][CH2:26][CH2:27][O:28][Si:29]([C:30]([CH3:31])([CH3:32])[CH3:33])([CH3:34])[CH3:35])[cH:22][cH:23]1)[NH:36][C:37]([O:38][CH:39]1[CH2:40][O:41][CH:42]3[O:43][CH2:44][CH2:45][CH:46]13)=[O:47])[OH:48])[CH2:49][CH:50]([CH3:51])[CH3:52])[cH:9]2.[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([S:10](=[O:11])(=[O:12])[N:13]([CH2:14][CH:15]([CH:16]([CH2:17][c:18]1[cH:19][cH:20][c:21]([O:24][CH2:25][CH2:26][CH2:27][OH:28])[cH:22][cH:23]1)[NH:36][C:37]([O:38][CH:39]1[CH2:40][O:41][CH:42]3[O:43][CH2:44][CH2:45][CH:46]13)=[O:47])[OH:48])[CH2:49][CH:50]([CH3:51])[CH3:52])[cH:9]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 178449116HCID 178449116, compound

Product 1

HCID 207742912,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-[4-(3-hydroxypropoxy)phenyl]butan-2-yl]carbamate

Sources & evidence

ORD record
ord-5763abebc1ac409f9c5319a358fccfe3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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