Potassium Cation → tert-butyl 4-{[2-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino}-1-piperidinecarboxylate

HRID 281366Notes

Reaction equation

HRID 281366 reaction equation
[Cl:7][c:8]1[n:9][c:10]([N:31]2[CH2:32][CH2:33][O:34][CH2:35][CH2:36]2)[c:11]([N+:28](=[O:29])[O-:30])[c:12]([NH:14][CH:15]2[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:19][CH2:20]2)[n:13]1.[F:37][CH:38]([c:39]1[n:40][c:41]2[c:42]([nH:43]1)[cH:44][cH:45][cH:46][c:47]2[O:48][CH3:49])[F:50].[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:56]>>[c:8]1(-[n:43]2[c:39]([CH:38]([F:37])[F:50])[n:40][c:41]3[c:42]2[cH:44][cH:45][cH:46][c:47]3[O:48][CH3:49])[n:9][c:10]([N:31]2[CH2:32][CH2:33][O:34][CH2:35][CH2:36]2)[c:11]([N+:28](=[O:29])[O-:30])[c:12]([NH:14][CH:15]2[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:19][CH2:20]2)[n:13]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 534881012-(Difluoromethyl)-4-methoxy-1H-benzimidazoleHCID 86632675Tert-butyl 4-(2-chloro-6-morpholino-5-nitropyrimidin-4-ylamino)piperidine-1-carboxylate

Product 1

HCID 66698145tert-butyl 4-{[2-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino}-1-piperidinecarboxylate

Sources & evidence

ORD record
ord-845e01deb3614ba98cbbb7e2ddbb7e5f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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