Ethanol → N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-4-({[(1,1-dimethylethyl)(dimethyl)silyl]oxy}methyl)-1-({[2-(trimethylsilyl)ethyl]oxy}methyl)-1H-imidazole-2-carboxamide

HRID 124929Notes

Reaction equation

HRID 124929 reaction equation
[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][c:8]1[n:9][c:10]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[n:11]([CH2:13][O:14][CH2:15][CH2:16][Si:17]([CH3:18])([CH3:19])[CH3:20])[cH:12]1)([CH3:26])[CH3:27].[CH3:88][CH2:89][OH:90].[CH:74]([N:75]([CH2:76][CH3:77])[CH:78]([CH3:79])[CH3:80])([CH3:81])[CH3:82].[K+:29].[NH2:30][CH2:31][c:32]1[c:33]([F:49])[c:34]([O:39][c:40]2[cH:41][c:42]([C:43]#[N:44])[cH:45][c:46]([Cl:48])[cH:47]2)[c:35]([Cl:38])[cH:36][cH:37]1.[Na+:87].[O-:83][C:84]([OH:85])=[O:86].[O:91]=[CH:92][N:93]([CH3:94])[CH3:95].[OH-:28].[P-:50]([F:51])([F:52])([F:53])([F:54])([F:55])[F:56].[n:57]1([O:58][C:59]([N:60]([CH3:61])[CH3:62])=[N+:63]([CH3:64])[CH3:65])[c:66]2[n:67][cH:68][cH:69][cH:70][c:71]2[n:72][n:73]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][c:8]1[n:9][c:10]([C:21](=[O:22])[NH:30][CH2:31][c:32]2[c:33]([F:49])[c:34]([O:39][c:40]3[cH:41][c:42]([C:43]#[N:44])[cH:45][c:46]([Cl:48])[cH:47]3)[c:35]([Cl:38])[cH:36][cH:37]2)[n:11]([CH2:13][O:14][CH2:15][CH2:16][Si:17]([CH3:18])([CH3:19])[CH3:20])[cH:12]1)([CH3:26])[CH3:27]

Participants

12

Reactant 11

HCID 702EthanolHCID 769Bicarbonate IonHCID 813Potassium CationHCID 923Sodium ionHCID 961HydroxideHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 594513923-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-chlorobenzonitrileHCID 70937136Ethyl 4-({[(1,1-dimethylethyl)(dimethyl)silyl]oxy}methyl)-1-({[2-(trimethylsilyl)ethyl]oxy}methyl)-1H-imidazole-2-carboxylate

Product 1

HCID 70937189N-({4-chloro-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-4-({[(1,1-dimethylethyl)(dimethyl)silyl]oxy}methyl)-1-({[2-(trimethylsilyl)ethyl]oxy}methyl)-1H-imidazole-2-carboxamide

Sources & evidence

ORD record
ord-762d7728888b4d24869f870965f46ffd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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