Methanol → (3-(3-Methyl-4-((methylamino)methyl)phenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

HRID 293500Notes

Reaction equation

HRID 293500 reaction equation
[BH4-:32].[CH3:1][OH:2].[CH3:34][CH:35]([CH3:36])[O-:37].[CH3:39][CH:40]([CH3:41])[O-:42].[CH3:3][NH2:4].[CH3:43][CH:44]([CH3:45])[O-:46].[CH3:47][CH:48]([CH3:49])[O-:50].[CH3:5][c:6]1[c:7]([CH:8]=[O:9])[cH:10][cH:11][c:12]([O:14][CH:15]2[CH2:16][N:17]([C:19](=[O:20])[c:21]3[o:22][c:23](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[n:24][n:25]3)[CH2:18]2)[cH:13]1.[Cl:52][CH2:53][Cl:54].[Na+:33].[OH2:51].[Ti+4:38]>>[CH3:3][NH:4][CH2:8][c:7]1[c:6]([CH3:5])[cH:13][c:12]([O:14][CH:15]2[CH2:16][N:17]([C:19](=[O:20])[c:21]3[o:22][c:23](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[n:24][n:25]3)[CH2:18]2)[cH:11][cH:10]1

Participants

10

Reactant 9

HCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 6329MethylamineHCID 6344DichloromethaneHCID 28123BorohydrideHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 580431052-Methyl-4-(1-(5-phenyl-1,3,4-oxadiazole-2-carbonyl)azetidin-3-yloxy)benzaldehyde

Product 1

HCID 56598403(3-(3-Methyl-4-((methylamino)methyl)phenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

Sources & evidence

ORD record
ord-babcc5e4af6f4236a9339167077ad4ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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