Acetonitrile → 17-Ethyl-1-hydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-14-t-butyl-dimethylsilyloxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone

HRID 296237

Reaction equation

HRID 296237 reaction equation
[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:70])[CH2:5][CH:6]([O:62][Si:63]([CH3:64])([CH3:65])[C:66]([CH3:67])([CH3:68])[CH3:69])[CH:7]([CH3:61])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:58][CH3:59])[CH:47]([O:50][Si:51]([C:52]([CH3:53])([CH3:54])[CH3:55])([CH3:56])[CH3:57])[CH2:48][CH2:49]2)[CH3:60])[O:9][C:10](=[O:41])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:40])[C:18](=[O:39])[C:19]2([OH:38])[CH:20]([CH3:37])[CH2:21][CH:22]([O:35][CH3:36])[CH:23]([CH:24]([O:32][CH3:33])[CH2:25][CH:26]([CH3:31])[CH2:27][C:28]([CH3:30])=[CH:29]1)[O:34]2.[CH3:72][C:73]#[N:74].[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[FH:71]>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:70])[CH2:5][CH:6]([O:62][Si:63]([CH3:64])([CH3:65])[C:66]([CH3:67])([CH3:68])[CH3:69])[CH:7]([CH3:61])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:58][CH3:59])[CH:47]([OH:50])[CH2:48][CH2:49]2)[CH3:60])[O:9][C:10](=[O:41])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:40])[C:18](=[O:39])[C:19]2([OH:38])[CH:20]([CH3:37])[CH2:21][CH:22]([O:35][CH3:36])[CH:23]([CH:24]([O:32][CH3:33])[CH2:25][CH:26]([CH3:31])[CH2:27][C:28]([CH3:30])=[CH:29]1)[O:34]2

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 14917Hydrofluoric AcidHCID 5704242317-Ethyl-1-hydroxy-12-[2'-(4"-t-butyldimethylsilyloxy-3"-methoxycyclohexyl)-1'-methylvinyl]-14-t-butyldimethylsilyloxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone

Product 1

HCID 5724677817-Ethyl-1-hydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-14-t-butyl-dimethylsilyloxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetraone

Sources & evidence

ORD record
ord-9a71799c62e4482e939df708a6414b55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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