Acetone → HCID 67073863, compound

HRID 99090Notes

Reaction equation

[C:38](=[O:39])([O-:40])[O-:41].[CH3:45][C:46](=[O:47])[CH3:48].[ClH:44].[K+:42].[K+:43].[NH2:1][CH2:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][CH2:8][CH2:9][O:10][CH2:11][CH2:12][CH2:13][NH:14][c:15]1[n:16][c:17]([NH:27][c:28]2[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37]2)[n:18][c:19]([O:21][CH2:22][C:23]([F:24])([F:25])[F:26])[n:20]1.[OH2:49]>>[NH2:1][CH2:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][CH2:8][CH2:9][O:10][CH2:11][CH2:12][CH2:13][NH:14][c:15]1[n:16][c:17]([NH:27][c:28]2[cH:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:36][cH:37]2)[n:18][c:19]([O:21][CH2:22][C:23]([F:24])([F:25])[F:26])[n:20]1

Participants

Reactant 6

HCID 180Acetone

HCID 313Hydrochloric Acid

HCID 813Potassium Cation2×

HCID 962Water

HCID 19660Carbonate Ion

HCID 67074211Methyl 4-(4-(3-(4-(3-aminopropoxy)butoxy)propylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate

Product 1

HCID 67073863HCID 67073863, compound

Sources & evidence

ORD record: ord-8b3c6e08294c4a31bb51dd156a1cdc4a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…