Dichloromethane → 17-Ethyl-1-hydroxy-14-(tert-butyldimethylsiloxy)-12-[2'-(4"-allyloxy-3"-methoxycyclohexyl)-1'-methylvinyl]-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 1536959Notes

Reaction equation

HRID 1536959 reaction equation
[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:63])[CH2:5][CH:6]([O:55][Si:56]([CH3:57])([CH3:58])[C:59]([CH3:60])([CH3:61])[CH3:62])[CH:7]([CH3:54])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:51][CH3:52])[CH:47]([OH:50])[CH2:48][CH2:49]2)[CH3:53])[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.[CH2:82]1[CH2:83][CH2:84][CH2:85][CH2:86][CH2:87]1.[CH2:88]([Cl:89])[Cl:90].[Cl:72][C:73]([Cl:74])([Cl:75])[C:79](=[NH:80])[O:81][CH2:76][CH:77]=[CH2:78].[OH:64][S:65]([C:66]([F:67])([F:68])[F:69])(=[O:70])=[O:71]>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:63])[CH2:5][CH:6]([O:55][Si:56]([CH3:57])([CH3:58])[C:59]([CH3:60])([CH3:61])[CH3:62])[CH:7]([CH3:54])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:51][CH3:52])[CH:47]([O:50][CH2:78][CH:77]=[CH2:76])[CH2:48][CH2:49]2)[CH3:53])[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

6

Reactant 5

HCID 6344DichloromethaneHCID 8078CyclohexaneHCID 62406Trifluoromethanesulfonic acidHCID 316905Allyl 2,2,2-TrichloroacetimidateHCID 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

Product 1

HCID 5711397117-Ethyl-1-hydroxy-14-(tert-butyldimethylsiloxy)-12-[2'-(4"-allyloxy-3"-methoxycyclohexyl)-1'-methylvinyl]-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-a77721c262f14e9ba69efee81a9cb760
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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