Hydrochloric Acid → (3-(4-((3-Hydroxy-3-methylazetidin-1-yl)methyl)-3-methylphenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone

HRID 1230133Notes

Reaction equation

HRID 1230133 reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][n:11][c:12]([C:14](=[O:15])[N:16]3[CH2:17][CH:18]([O:20][c:21]4[cH:22][c:23]([CH3:29])[c:24]([CH:25]=[O:26])[cH:27][cH:28]4)[CH2:19]3)[o:13]2)[cH:7][cH:8]1.[CH3:31][C:32]1([OH:36])[CH2:33][NH:34][CH2:35]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[Cl:58][CH2:59][Cl:60].[ClH:30].[Na+:57]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][n:11][c:12]([C:14](=[O:15])[N:16]3[CH2:17][CH:18]([O:20][c:21]4[cH:22][c:23]([CH3:29])[c:24]([CH2:25][N:34]5[CH2:33][C:32]([CH3:31])([OH:36])[CH2:35]5)[cH:27][cH:28]4)[CH2:19]3)[o:13]2)[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 2724942TriacetoxyborohydrideHCID 115427823-Methylazetidin-3-olHCID 580431564-(1-(5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl)azetidin-3-yloxy)-2-methylbenzaldehyde

Product 1

HCID 56597275(3-(4-((3-Hydroxy-3-methylazetidin-1-yl)methyl)-3-methylphenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone

Sources & evidence

ORD record
ord-8ed4c9f79ccb4b2eac45bdb46472e3cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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