Dimethylformamide → Ethyl 4-[2-[[1-(3-fluorophenyl)-5-(2-oxo-2-phenylmethoxyethoxy)pyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]piperazine-1-carboxylate

HRID 1115920Notes

Reaction equation

HRID 1115920 reaction equation
[Br:39][CH2:40][C:41](=[O:42])[O:43][CH2:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[C:51](=[O:52])([O-:53])[O-:54].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[NH:22][C:23](=[O:24])[c:25]2[n:26][n:27](-[c:31]3[cH:32][c:33]([F:37])[cH:34][cH:35][cH:36]3)[c:28]([OH:30])[cH:29]2)=[O:38])[CH2:10][CH2:11]1.[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[Cs+:55].[Cs+:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][N:9]([C:12]([CH:13]([CH2:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[NH:22][C:23](=[O:24])[c:25]2[n:26][n:27](-[c:31]3[cH:32][c:33]([F:37])[cH:34][cH:35][cH:36]3)[c:28]([O:30][CH2:40][C:41](=[O:42])[O:43][CH2:44][c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[cH:29]2)=[O:38])[CH2:10][CH2:11]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 62576Benzyl bromoacetateHCID 104967Cesium cation2×HCID 178473379HCID 178473379, compound

Product 1

HCID 66854931Ethyl 4-[2-[[1-(3-fluorophenyl)-5-(2-oxo-2-phenylmethoxyethoxy)pyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-118156d3eedb41129aa40dbf0513782e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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