Sodium ion → Milenperone

HRID 1207850Notes

Reaction equation

HRID 1207850 reaction equation
[CH3:1][S:2]([O:3][CH2:6][CH2:7][CH2:8][n:9]1[c:10](=[O:19])[nH:11][c:12]2[c:13]1[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)(=[O:4])=[O:5].[CH3:41][CH:42]([CH3:43])[CH2:44][C:45](=[O:46])[CH3:47].[F:20][c:21]1[cH:22][cH:23][c:24]([C:27](=[O:28])[CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:25][cH:26]1.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40]>>[CH2:6]([CH2:7][CH2:8][n:9]1[c:10](=[O:19])[nH:11][c:12]2[c:13]1[cH:14][cH:15][c:16]([Cl:18])[cH:17]2)[N:32]1[CH2:31][CH2:30][CH:29]([C:27]([c:24]2[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]2)=[O:28])[CH2:34][CH2:33]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 27244404-(4-Fluorobenzoyl)piperidineHCID 214248165-chloro-1,3-dihydro-2-oxo-2H-benzimidazole-1-propanol methanesulfonate

Product 1

HCID 65489Milenperone

Sources & evidence

ORD record
ord-e64ba5801f5941ffa00f36c6b3df4068
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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