Potassium Cation → 3-{4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-[4-(methylsulfonyl)-1-piperazinyl]-1,3,5-triazin-2-yl}-8-oxa-3-azabicyclo[3.2.1]octane

HRID 2130520Notes

Reaction equation

HRID 2130520 reaction equation
[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[Cl:47][CH2:48][Cl:49].[F:6][CH:7]([c:8]1[n:9][c:10]2[c:11]([n:12]1-[c:13]1[n:14][c:15]([N:25]3[CH2:26][CH:27]4[CH2:28][CH2:29][CH:30]([CH2:31]3)[O:32]4)[n:16][c:17]([N:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[n:18]1)[cH:33][cH:34][cH:35][c:36]2[O:37][CH3:38])[F:39].[K+:40].[K+:41].[O-:42][C:43]([O-:44])=[O:45].[OH2:46]>>[CH3:1][S:2](=[O:4])(=[O:5])[N:22]1[CH2:21][CH2:20][N:19]([c:17]2[n:16][c:15]([N:25]3[CH2:26][CH:27]4[CH2:28][CH2:29][CH:30]([CH2:31]3)[O:32]4)[n:14][c:13](-[n:12]3[c:8]([CH:7]([F:6])[F:39])[n:9][c:10]4[c:11]3[cH:33][cH:34][cH:35][c:36]4[O:37][CH3:38])[n:18]2)[CH2:24][CH2:23]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 31297Methanesulfonyl chlorideHCID 666980973-[4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(1-piperazinyl)-1,3,5-triazin-2-yl]-8-oxa-3-azabicyclo[3.2.1]octane

Product 1

HCID 469178653-{4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-[4-(methylsulfonyl)-1-piperazinyl]-1,3,5-triazin-2-yl}-8-oxa-3-azabicyclo[3.2.1]octane

Sources & evidence

ORD record
ord-825904a35b3247c7a2f58c05d978d9a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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