Potassium Cation → 4-(4-Acetylpiperazin-1-yl)-2-(2-difluoromethylbenzimidazol-1-yl)-6-morpholino-1,3,5-triazine

HRID 1211318Notes

Reaction equation

HRID 1211318 reaction equation
[C:26]([CH3:27])(=[O:28])[N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[C:35](=[O:36])([O-:37])[O-:38].[Cl:1][c:2]1[n:3][c:4]([N:20]2[CH2:21][CH2:22][O:23][CH2:24][CH2:25]2)[n:5][c:6](-[n:8]2[c:9]([CH:17]([F:18])[F:19])[n:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1.[K+:39].[K+:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46]>>[c:2]1([N:32]2[CH2:31][CH2:30][N:29]([C:26]([CH3:27])=[O:28])[CH2:34][CH2:33]2)[n:3][c:4]([N:20]2[CH2:21][CH2:22][O:23][CH2:24][CH2:25]2)[n:5][c:6](-[n:8]2[c:9]([CH:17]([F:18])[F:19])[n:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 837951-AcetylpiperazineHCID 220368724-(4-chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine

Product 1

HCID 119552054-(4-Acetylpiperazin-1-yl)-2-(2-difluoromethylbenzimidazol-1-yl)-6-morpholino-1,3,5-triazine

Sources & evidence

ORD record
ord-e7701fc2974d4cee9996950811da10ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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