Potassium Cation → 4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [4-(2-tert-butylsulfamoyl-ethyl)-2-cyclohex-1-enyl-phenyl]-amide

HRID 114712Notes

Reaction equation

HRID 114712 reaction equation
[C:1](#[N:2])[c:3]1[n:4][c:5]([C:16](=[O:17])[OH:18])[n:6]([CH2:8][O:9][CH2:10][CH2:11][Si:12]([CH3:13])([CH3:14])[CH3:15])[cH:7]1.[C:20]([c:21]1[n:22][c:23]([C:24]([O-:25])=[O:26])[n:27]([CH2:28][O:29][CH2:30][CH2:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[cH:36]1)#[N:37].[C:48]([CH3:49])([CH3:50])([CH3:51])[NH:52][S:53](=[O:54])(=[O:55])[CH2:56][CH2:57][c:58]1[cH:59][c:60]([C:65]2=[CH:66][CH2:67][CH2:68][CH2:69][CH2:70]2)[c:61]([NH2:64])[cH:62][cH:63]1.[Cl:71][CH2:72][Cl:73].[K+:19].[OH2:74].[S:44]([Cl:45])([Cl:46])=[O:47].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[C:1](#[N:2])[c:3]1[n:4][c:5]([C:16](=[O:18])[NH:64][c:61]2[c:60]([C:65]3=[CH:66][CH2:67][CH2:68][CH2:69][CH2:70]3)[cH:59][c:58]([CH2:57][CH2:56][S:53]([NH:52][C:48]([CH3:49])([CH3:50])[CH3:51])(=[O:54])=[O:55])[cH:63][cH:62]2)[n:6]([CH2:8][O:9][CH2:10][CH2:11][Si:12]([CH3:13])([CH3:14])[CH3:15])[cH:7]1

Participants

9

Reactant 8

HCID 813Potassium CationHCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 24386Thionyl ChlorideHCID 587548162-(4-Amino-3-cyclohex-1-enyl-phenyl)-ethanesulfonic acid tert-butylamideHCID 591285844-Cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylateHCID 591285854-Cyano-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole-2-carboxylic acid

Product 1

HCID 587548884-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [4-(2-tert-butylsulfamoyl-ethyl)-2-cyclohex-1-enyl-phenyl]-amide

Sources & evidence

ORD record
ord-2f34a4c944864ad9a67994eebf59902b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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