Hydrochloric Acid → N-(3-Chloropropyl)-1-methyl-4-[({[4-(trifluoromethoxy)phenyl]amino}carbonyl)amino]-1H-imidazol-2-carboxamide

HRID 1567732Notes

Reaction equation

HRID 1567732 reaction equation
[CH3:1][n:2]1[c:3]([C:22](=[O:23])[OH:24])[n:4][c:5]([NH:7][C:8](=[O:9])[NH:10][c:11]2[cH:12][cH:13][c:14]([O:17][C:18]([F:19])([F:20])[F:21])[cH:15][cH:16]2)[cH:6]1.[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH3:67][N:68]([c:69]1[cH:70][cH:71][n:72][cH:73][cH:74]1)[CH3:75].[Cl:50][CH2:51][CH2:52][CH2:53][NH2:54].[ClH:49].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[CH3:1][n:2]1[c:3]([C:22](=[O:23])[NH:54][CH2:53][CH2:52][CH2:51][Cl:50])[n:4][c:5]([NH:7][C:8](=[O:9])[NH:10][c:11]2[cH:12][cH:13][c:14]([O:17][C:18]([F:19])([F:20])[F:21])[cH:15][cH:16]2)[cH:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 142844-(Dimethylamino)pyridineHCID 846293-ChloropropylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 594218021-Methyl-4-[({[4-(trifluoromethoxy)phenyl]amino}carbonyl)amino]-1H-imidazole-2-carboxylic Acid

Product 1

HCID 59421821N-(3-Chloropropyl)-1-methyl-4-[({[4-(trifluoromethoxy)phenyl]amino}carbonyl)amino]-1H-imidazol-2-carboxamide

Sources & evidence

ORD record
ord-e87ee33d366a4e02afba2cb62ee53477
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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