Acetate → 17-Ethyl-1,14-dihydroxy-12-[2'-(3"-(4'"-chlorophenyloxy)-4"-hydroxycyclohexyl)-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 134145

Reaction equation

HRID 134145 reaction equation
[C:124]([O-:125])(=[O:126])[CH3:127].[C:129]([O-:130])(=[O:131])[CH3:132].[C:56]([OH:57])(=[O:58])[CH3:59].[C:60]([OH:61])(=[O:62])[CH3:63].[C:90](=[O:91])([OH:92])[OH:93].[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:55])[CH2:5][CH:6]([OH:54])[CH:7]([CH3:53])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([OH:51])[CH:47]([OH:50])[CH2:48][CH2:49]2)[CH3:52])[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.[CH3:86][C:87](=[O:88])[OH:89].[Cl:116][CH2:117][Cl:118].[Cl:64][c:65]1[cH:66][cH:67][c:68]([Bi:71]([c:72]2[cH:73][cH:74][c:75]([Cl:76])[cH:77][cH:78]2)[c:79]2[cH:80][cH:81][c:82]([Cl:83])[cH:84][cH:85]2)[cH:69][cH:70]1.[Cl:94][c:95]1[cH:96][cH:97][c:98]([Bi:99]([c:100]2[cH:101][cH:102][c:103]([Cl:104])[cH:105][cH:106]2)[c:107]2[cH:108][cH:109][c:110]([Cl:111])[cH:112][cH:113]2)[cH:114][cH:115]1.[Cu+2:128].[Na+:123].[O-:119][C:120]([OH:121])=[O:122]>>[CH2:1]([CH3:2])[CH:3]1[C:4](=[O:55])[CH2:5][CH:6]([OH:54])[CH:7]([CH3:53])[CH:8]([C:42](=[CH:43][CH:44]2[CH2:45][CH:46]([O:51][c:68]3[cH:67][cH:66][c:65]([Cl:64])[cH:70][cH:69]3)[CH:47]([OH:50])[CH2:48][CH2:49]2)[CH3:52])[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

10

Reactant 9

HCID 175Acetate2×HCID 176Acetic Acid3×HCID 767Carbonic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 27099Cupric cationHCID 279137Tris(4-chlorophenyl)bismuthane2×HCID 5720384517-Ethyl-1,14-dihydroxy-12-[2'(3",4"-dihydroxycyclohexyl)-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

Product 1

HCID 5719219017-Ethyl-1,14-dihydroxy-12-[2'-(3"-(4'"-chlorophenyloxy)-4"-hydroxycyclohexyl)-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-414808dd1c534295a75f7ddd8fe64ecf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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