Water → Ethyl 4-[2-[[5-(1-ethoxycarbonylcyclobutyl)oxy-1-phenylpyrazole-3-carbonyl]amino]-4-methylsulfonylbutanoyl]piperazine-1-carboxylate

HRID 2319186Notes

Reaction equation

HRID 2319186 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[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][CH2:15][S:16](=[O:17])(=[O:18])[CH3:19])[NH:20][C:21](=[O:22])[c:23]2[n:24][n:25](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:26]([OH:28])[cH:27]2)=[O:35])[CH2:10][CH2:11]1.[CH2:42]([CH3:43])[O:44][C:45](=[O:46])[C:47]1([Br:51])[CH2:48][CH2:49][CH2:50]1.[Cs+:40].[Cs+:41].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:57]>>[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][CH2:15][S:16](=[O:17])(=[O:18])[CH3:19])[NH:20][C:21](=[O:22])[c:23]2[n:24][n:25](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:26]([O:28][C:47]3([C:45]([O:44][CH2:42][CH3:43])=[O:46])[CH2:48][CH2:49][CH2:50]3)[cH:27]2)=[O:35])[CH2:10][CH2:11]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 97595Ethyl 1-bromocyclobutanecarboxylateHCID 104967Cesium cation2×HCID 178473380HCID 178473380, compound

Product 1

HCID 66920149Ethyl 4-[2-[[5-(1-ethoxycarbonylcyclobutyl)oxy-1-phenylpyrazole-3-carbonyl]amino]-4-methylsulfonylbutanoyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-4629908f0f094cc08e2ddf0bbfad9aa8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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