Hydrochloric Acid → (3-(4-((3-(Hydroxymethyl)-3-methylpyrrolidin-1-yl)methyl)phenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

HRID 1230589Notes

Reaction equation

HRID 1230589 reaction equation
[CH3:28][C:29]1([CH2:34][OH:35])[CH2:30][NH:31][CH2:32][CH2:33]1.[CH3:41][S:42]([CH3:43])=[O:44].[Cl:45][CH2:46][Cl:47].[ClH:27].[Na+:40].[O-:36][C:37]([OH:38])=[O:39].[c:1]1(-[c:7]2[n:8][n:9][c:10]([C:12](=[O:13])[N:14]3[CH2:15][CH:16]([O:18][c:19]4[cH:20][cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26]4)[CH2:17]3)[o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][n:9][c:10]([C:12](=[O:13])[N:14]3[CH2:15][CH:16]([O:18][c:19]4[cH:20][cH:21][c:22]([CH2:23][N:31]5[CH2:30][C:29]([CH3:28])([CH2:34][OH:35])[CH2:33][CH2:32]5)[cH:25][cH:26]4)[CH2:17]3)[o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 57600095(3-Methylpyrrolidin-3-yl)methanolHCID 58043115HCID 58043115, compound

Product 1

HCID 56599063(3-(4-((3-(Hydroxymethyl)-3-methylpyrrolidin-1-yl)methyl)phenoxy)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

Sources & evidence

ORD record
ord-31e42b95b41641d68883974a7df4fb9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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