Potassium Cation → Prop-2-enyl 1-[[7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]imidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate

HRID 120833Notes

Reaction equation

HRID 120833 reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[C:7]1([NH:10][C:11](=[O:12])[c:13]2[cH:14][n:15][c:16]3[n:17]2[C:18]([CH3:30])([CH2:31][c:32]2[cH:33][cH:34][c:35]([I:38])[cH:36][cH:37]2)[C:19](=[O:29])[N:20]3[c:21]2[cH:22][c:23]([Cl:28])[cH:24][c:25]([Cl:27])[cH:26]2)[CH2:8][CH2:9]1.[CH3:44][NH:45][CH:46]1[CH2:47][CH2:48][CH2:49][CH2:50][CH:51]1[NH:52][CH3:53].[K+:59].[K+:60].[K+:61].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P:54]([O-:55])([O-:56])([O-:57])=[O:58].[nH:39]1[n:40][cH:41][n:42][cH:43]1>>[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[C:7]1([NH:10][C:11](=[O:12])[c:13]2[cH:14][n:15][c:16]3[n:17]2[C:18]([CH3:30])([CH2:31][c:32]2[cH:33][cH:34][c:35](-[n:39]4[n:40][cH:41][n:42][cH:43]4)[cH:36][cH:37]2)[C:19](=[O:29])[N:20]3[c:21]2[cH:22][c:23]([Cl:28])[cH:24][c:25]([Cl:27])[cH:26]2)[CH2:8][CH2:9]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 6228DimethylformamideHCID 92571H-1,2,4-TriazoleHCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 67390981Prop-2-enyl 1-[[7-(3,5-dichlorophenyl)-5-[(4-iodophenyl)methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate

Product 1

HCID 67390408Prop-2-enyl 1-[[7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]imidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate

Sources & evidence

ORD record
ord-fadd73f9cda547d8ae38a259173f8711
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…