Sodium ion → 2-[6-Butyl-5-(4-cyclohexyloxy-phenyl)-pyridazin-3-yloxymethyl]-morpholine-4-carboxylic acid tert-butyl ester

HRID 143737

Reaction equation

HRID 143737 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:14][OH:15])[O:11][CH2:12][CH2:13]1.[CH2:18]([CH2:19][CH2:20][CH3:21])[c:22]1[n:23][n:24][c:25]([Cl:41])[cH:26][c:27]1-[c:28]1[cH:29][cH:30][c:31]([O:34][CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[cH:32][cH:33]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[H-:16].[Na+:17].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:14][O:15][c:25]2[n:24][n:23][c:22]([CH2:18][CH2:19][CH2:20][CH3:21])[c:27](-[c:28]3[cH:29][cH:30][c:31]([O:34][CH:35]4[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]4)[cH:32][cH:33]3)[cH:26]2)[O:11][CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 5201202tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylateHCID 866577793-Butyl-6-chloro-4-(4-cyclohexyloxy-phenyl)-pyridazine

Product 1

HCID 673724212-[6-Butyl-5-(4-cyclohexyloxy-phenyl)-pyridazin-3-yloxymethyl]-morpholine-4-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-6a6bf4d508604b4a9bc889c40847cac0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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