Ethanol → HCID 56833953, compound

HRID 2160496Notes

Reaction equation

HRID 2160496 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]([C:38]3=[CH:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[c:17]([NH:20][C:21](=[O:22])[c:23]3[n:24]([CH2:30][O:31][CH2:32][CH2:33][Si:34]([CH3:35])([CH3:36])[CH3:37])[cH:25][c:26]([C:28]#[N:29])[n:27]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:58]1([c:59]2[cH:60][c:61]([CH:62]3[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]3)[cH:68][cH:69][c:70]2[NH:71][C:72]([c:73]2[n:74]([CH2:75][O:76][CH2:77][CH2:78][Si:79]([CH3:80])([CH3:81])[CH3:82])[c:83]([C:84]#[N:85])[cH:86][n:87]2)=[O:88])=[CH:93][CH2:92][CH2:91][CH2:90][CH2:89]1.[C:94]([CH3:95])([CH3:96])([CH3:97])[O:98][C:99](=[O:100])[NH:101][C:102]([C:103](=[O:104])[OH:105])([CH3:106])[CH3:107].[CH3:120][CH2:121][OH:122].[CH3:123][CH2:124][O:125][C:126]([CH3:127])=[O:128].[CH:108]([N:109]([CH2:110][CH3:111])[CH:112]([CH3:113])[CH3:114])([CH3:115])[CH3:116].[Cl:117][CH2:118][Cl:119].[F:44][C:45]([F:46])([F:47])[C:48]([OH:49])=[O:50].[F:51][C:52]([F:53])([F:54])[C:55]([OH:56])=[O:57]>>[N:8]1([C:103]([C:102]([NH:101][C:99]([O:98][C:94]([CH3:95])([CH3:96])[CH3:97])=[O:100])([CH3:106])[CH3:107])=[O:104])[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][c:16]([C:38]3=[CH:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[c:17]([NH:20][C:21](=[O:22])[c:23]3[n:24]([CH2:30][O:31][CH2:32][CH2:33][Si:34]([CH3:35])([CH3:36])[CH3:37])[cH:25][c:26]([C:28]#[N:29])[n:27]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1

Participants

9

Reactant 8

HCID 702EthanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acid2×HCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 2733845N-((1,1-dimethylethoxy)carbonyl)-2-methyl-alanineHCID 568348514-(4-{[4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carbonyl]-amino}-3-cyclohex-1-enyl-phenyl)-piperidine-1-carboxylic acid tert-butyl esterHCID 91305083HCID 91305083, compound

Product 1

HCID 56833953HCID 56833953, compound

Sources & evidence

ORD record
ord-47c0485062754ad4830d97702a8d24be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…