Sodium ion → Tert-butyl 4-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate

HRID 1222271Notes

Reaction equation

HRID 1222271 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:16][CH2:17][O:18][CH3:19])[CH:11]([CH2:14][OH:15])[CH2:12][CH2:13]1.[CH2:22]([CH2:23][CH2:24][CH3:25])[c:26]1[n:27][n:28][c:29]([Cl:45])[cH:30][c:31]1-[c:32]1[cH:33][cH:34][c:35]([O:38][CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[cH:36][cH:37]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[H-:20].[Na+:21].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:16][CH2:17][O:18][CH3:19])[CH:11]([CH2:14][O:15][c:29]2[n:28][n:27][c:26]([CH2:22][CH2:23][CH2:24][CH3:25])[c:31](-[c:32]3[cH:33][cH:34][c:35]([O:38][CH:39]4[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]4)[cH:36][cH:37]3)[cH:30]2)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 15852991Tert-butyl 4-(hydroxymethyl)-3-(methoxymethoxy)piperidine-1-carboxylateHCID 866577793-Butyl-6-chloro-4-(4-cyclohexyloxy-phenyl)-pyridazine

Product 1

HCID 67387281Tert-butyl 4-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]-3-(methoxymethoxy)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-3c98805a7d274c5181ccbc89292dd08a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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