Bicarbonate Ion → 3-[3-(2,5-difluorophenyl)-1-(morpholin-4-ylcarbonyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]propan-1-amine

HRID 662509Notes

Reaction equation

HRID 662509 reaction equation
[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[Cl:72][CH2:73][Cl:74].[F:1][c:2]1[c:3]([C:9]2=[N:10][N:11]([C:24](=[O:25])[N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[C:12]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([CH2:20][CH2:21][CH2:22][OH:23])[CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[N-:50]=[N+:51]=[N-:52].[Na+:48].[Na+:49].[O-:44][C:45]([OH:46])=[O:47].[OH2:81].[S:39]([Cl:40])([CH3:41])(=[O:42])=[O:43].[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[F:1][c:2]1[c:3]([C:9]2=[N:10][N:11]([C:24](=[O:25])[N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[C:12]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([CH2:20][CH2:21][CH2:22][NH2:34])[CH2:13]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 31297Methanesulfonyl chlorideHCID 33558AzideHCID 687180813-[3-(2,5-difluorophenyl)-1-(morpholin-4-ylcarbonyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]propan-1-ol

Product 1

HCID 102381263-[3-(2,5-difluorophenyl)-1-(morpholin-4-ylcarbonyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-yl]propan-1-amine

Sources & evidence

ORD record
ord-3ef65befae1e49d18bfe6684fd8c4b96
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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