Water → 2-(1-{4-[2-(3,5-Dimethyl-isoxazol-4-yl)-acetylamino]-2-fluoro-phenyl}-piperidin-4-yl)-N,N-diethyl-2-phenyl-acetamide

HRID 1215521Notes

Reaction equation

HRID 1215521 reaction equation
[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:11])[c:6]1[CH2:7][C:8](=[O:9])[OH:10].[NH2:17][c:18]1[cH:19][c:20]([F:44])[c:21]([N:24]2[CH2:25][CH2:26][CH:27]([CH:30]([C:31](=[O:32])[N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[CH2:28][CH2:29]2)[cH:22][cH:23]1.[O:12]=[CH:13][N:14]([CH3:15])[CH3:16].[OH2:45]>>[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:11])[c:6]1[CH2:7][C:8](=[O:10])[NH:17][c:18]1[cH:19][c:20]([F:44])[c:21]([N:24]2[CH2:25][CH2:26][CH:27]([CH:30]([C:31](=[O:32])[N:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[CH2:28][CH2:29]2)[cH:22][cH:23]1

Participants

5

Reactant 4

HCID 962WaterHCID 6228DimethylformamideHCID 20633382-(Dimethyl-1,2-oxazol-4-yl)acetic acidHCID 693036392-[1-(4-amino-2-fluoro-phenyl)-piperidin-4-yl]-N,N-diethyl-2-phenyl-acetamide

Product 1

HCID 588707522-(1-{4-[2-(3,5-Dimethyl-isoxazol-4-yl)-acetylamino]-2-fluoro-phenyl}-piperidin-4-yl)-N,N-diethyl-2-phenyl-acetamide

Sources & evidence

ORD record
ord-ba25d82585a74be985cd22b7170d127c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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