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

HRID 296093Notes

Reaction equation

HRID 296093 reaction equation
[CH2:10]1[O:11][CH2:12][CH2:13][CH2:14]1.[CH3:15][O:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[n:24][n:25][c:26]([C:28](=[O:29])[N:30]3[CH2:31][CH:32]([O:34][c:35]4[cH:36][c:37]([CH3:43])[c:38]([CH:39]=[O:40])[cH:41][cH:42]4)[CH2:33]3)[o:27]2)[cH:21][cH:22]1.[CH3:2][C:3]1([CH2:8][OH:9])[CH2:4][NH:5][CH2:6][CH2:7]1.[Cl:49][CH2:50][Cl:51].[ClH:1].[Na+:48].[O-:44][C:45]([OH:46])=[O:47]>>[CH3:2][C:3]1([CH2:8][OH:9])[CH2:4][N:5]([CH2:39][c:38]2[c:37]([CH3:43])[cH:36][c:35]([O:34][CH:32]3[CH2:31][N:30]([C:28]([c:26]4[n:25][n:24][c:23](-[c:20]5[cH:19][cH:18][c:17]([O:16][CH3:15])[cH:22][cH:21]5)[o:27]4)=[O:29])[CH2:33]3)[cH:42][cH:41]2)[CH2:6][CH2:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 57600095(3-Methylpyrrolidin-3-yl)methanolHCID 580431564-(1-(5-(4-Methoxyphenyl)-1,3,4-oxadiazole-2-carbonyl)azetidin-3-yloxy)-2-methylbenzaldehyde

Product 1

HCID 56599193(3-(4-((3-(Hydroxymethyl)-3-methylpyrrolidin-1-yl)methyl)-3-methylphenoxy)azetidin-1-yl)(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)methanone

Sources & evidence

ORD record
ord-9643a98dbf334df59863d5f5411e0ab0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…