Potassium Cation → 6-[4-(4-Imidazol-1-ylmethylphenyl)piperidin-3-yloxymethyl]-4-(3-methoxypropyl)-3,4-dihydro-2H-benzo[1,4]oxazine

HRID 94152Notes

Reaction equation

HRID 94152 reaction equation
[CH3:46][OH:47].[K+:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH-:48].[OH2:56].[n:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10]([CH:13]3[CH:14]([O:29][CH2:30][c:31]4[cH:32][cH:33][c:34]5[c:35]([cH:45]4)[N:36]([CH2:40][CH2:41][CH2:42][O:43][CH3:44])[CH2:37][CH2:38][O:39]5)[CH2:15][N:16]([C:19]([O:20][CH2:21][c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)=[O:28])[CH2:17][CH2:18]3)[cH:11][cH:12]2)[cH:2][n:3][cH:4][cH:5]1>>[n:1]1([CH2:6][c:7]2[cH:8][cH:9][c:10]([CH:13]3[CH:14]([O:29][CH2:30][c:31]4[cH:32][cH:33][c:34]5[c:35]([cH:45]4)[N:36]([CH2:40][CH2:41][CH2:42][O:43][CH3:44])[CH2:37][CH2:38][O:39]5)[CH2:15][NH:16][CH2:17][CH2:18]3)[cH:11][cH:12]2)[cH:2][n:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 68504378Benzyl 4-(4-imidazol-1-ylmethylphenyl)-3-[4-(3-methoxypropyl)-3,4-dihydro-2H-benzo[1,4]oxazin-6-ylmethoxy]piperidine-1-carboxylate

Product 1

HCID 685031956-[4-(4-Imidazol-1-ylmethylphenyl)piperidin-3-yloxymethyl]-4-(3-methoxypropyl)-3,4-dihydro-2H-benzo[1,4]oxazine

Sources & evidence

ORD record
ord-7c78c07ce78f4893bf76c9446db088f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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