Dimethylformamide → 4-{2-[(5-Benzyloxycarbonylmethoxy-1-phenyl-1H-pyrazole-3-carbonyl)-amino]-acetyl}-piperazine-1-carboxylic acid butyl ester

HRID 698553Notes

Reaction equation

HRID 698553 reaction equation
[Br:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[C:44](=[O:45])([O-:46])[O-:47].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH2:15][NH:16][C:17](=[O:18])[c:19]2[n:20][n:21](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:22]([OH:24])[cH:23]2)=[O:31])[CH2:12][CH2:13]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cs+:48].[Cs+:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:14]([CH2:15][NH:16][C:17](=[O:18])[c:19]2[n:20][n:21](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:22]([O:24][CH2:33][C:34](=[O:35])[O:36][CH2:37][c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[cH:23]2)=[O:31])[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 62576Benzyl bromoacetateHCID 104967Cesium cation2×HCID 178452384HCID 178452384, compound

Product 1

HCID 668549514-{2-[(5-Benzyloxycarbonylmethoxy-1-phenyl-1H-pyrazole-3-carbonyl)-amino]-acetyl}-piperazine-1-carboxylic acid butyl ester

Sources & evidence

ORD record
ord-2669c6bc53994c4eafaf1da3a44cee8c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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