Hydrochloric Acid → 1-(4-Fluorophenyl)-4-[[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]methyl]pyrrolidin-2-one

HRID 2122688Notes

Reaction equation

HRID 2122688 reaction equation
[Br:1][CH2:2][CH:3]1[CH2:4][C:5](=[O:15])[N:6]([c:8]2[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]2)[CH2:7]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:16][c:17]1[s:18][c:19]2[c:20]([n:21]1)[cH:22][c:23]([O:26][CH2:27][CH:28]([CH2:29][N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1)[OH:36])[cH:24][cH:25]2.[ClH:37].[K+:42].[K+:43]>>[CH2:2]([CH:3]1[CH2:4][C:5](=[O:15])[N:6]([c:8]2[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]2)[CH2:7]1)[N:33]1[CH2:32][CH2:31][N:30]([CH2:29][CH:28]([CH2:27][O:26][c:23]2[cH:22][c:20]3[c:19]([s:18][c:17]([CH3:16])[n:21]3)[cH:25][cH:24]2)[OH:36])[CH2:35][CH2:34]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 219116911-(2-Methylbenzothiazol-5-yloxy)-3-piperazin-1-ylpropan-2-olHCID 219354874-(Bromomethyl)-1-(4-fluorophenyl)pyrrolidin-2-one

Product 1

HCID 219354991-(4-Fluorophenyl)-4-[[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]methyl]pyrrolidin-2-one

Sources & evidence

ORD record
ord-dc770093b49549d9b0989d42eeda2c5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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