Acetate → 17Ethyl-20-fluoro-1,14-dihydroxy-12-[2'-(4"-phenyloxy-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 110893

Reaction equation

HRID 110893 reaction equation
[C:120]([O-:121])(=[O:122])[CH3:123].[C:125]([O-:126])(=[O:127])[CH3:128].[C:58]([OH:59])(=[O:60])[CH3:61].[C:62]([OH:63])(=[O:64])[CH3:65].[C:89](=[O:90])([OH:91])[OH:92].[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:57])[CH2:5][CH:6]([OH:56])[CH:7]([CH3:55])[CH:8]([C:43](=[CH:44][CH:45]2[CH2:46][CH:47]([O:52][CH3:53])[CH:48]([OH:51])[CH2:49][CH2:50]2)[CH3:54])[O:9][C:10](=[O:42])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:41])[C:18](=[O:40])[C:19]2([OH:39])[CH:20]([CH3:38])[CH2:21][CH:22]([O:36][CH3:37])[CH:23]([CH:24]([O:33][CH3:34])[CH2:25][CH:26]([CH3:32])[CH:27]([F:31])[C:28]([CH3:30])=[CH:29]1)[O:35]2.[CH3:85][C:86](=[O:87])[OH:88].[Cl:112][CH2:113][Cl:114].[Cu+2:124].[Na+:119].[O-:115][C:116]([OH:117])=[O:118].[c:66]1([Bi:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:93]1([Bi:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:57])[CH2:5][CH:6]([OH:56])[CH:7]([CH3:55])[CH:8]([C:43](=[CH:44][CH:45]2[CH2:46][CH:47]([O:52][CH3:53])[CH:48]([O:51][c:66]3[cH:67][cH:68][cH:69][cH:70][cH:71]3)[CH2:49][CH2:50]2)[CH3:54])[O:9][C:10](=[O:42])[CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:17](=[O:41])[C:18](=[O:40])[C:19]2([OH:39])[CH:20]([CH3:38])[CH2:21][CH:22]([O:36][CH3:37])[CH:23]([CH:24]([O:33][CH3:34])[CH2:25][CH:26]([CH3:32])[CH:27]([F:31])[C:28]([CH3:30])=[CH:29]1)[O:35]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 176Acetic Acid3×HCID 767Carbonic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 11774Triphenylbismuth2×HCID 27099Cupric cationHCID 5702442717-Ethyl-20-fluoro-1,14-dihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13, 19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo-[22.3.1.04,9]octacos-18-ene2,3,10,16-tetraone

Product 1

HCID 5707651417Ethyl-20-fluoro-1,14-dihydroxy-12-[2'-(4"-phenyloxy-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-02a5aefdd38249fe8339729dfd2f5b4b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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