Acetic Acid → HCID 58333418, compound

HRID 672177Notes

Reaction equation

HRID 672177 reaction equation
[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:34][C:35](=[O:36])[OH:37].[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][N:14]=[C:15]2[CH2:16][CH2:17][N:18]([c:21]3[c:22]([F:29])[cH:23][c:24]([NH2:28])[c:25]([F:27])[cH:26]3)[CH2:19][CH2:20]2)[CH2:11][CH2:12]1.[K:30][O:31][C:32]#[N:33].[OH2:43]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH:10]([O:13][N:14]=[C:15]2[CH2:16][CH2:17][N:18]([c:21]3[c:22]([F:29])[cH:23][c:24]([NH:28][C:32](=[O:31])[NH2:33])[c:25]([F:27])[cH:26]3)[CH2:19][CH2:20]2)[CH2:11][CH2:12]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 583334444-[1-(4-Amino-2,5-difluoro-phenyl)-piperidin-4-ylideneaminooxy]-piperidine-1-carboxylic acid isopropyl esterHCID 178418250HCID 178418250, compound

Product 1

HCID 58333418HCID 58333418, compound

Sources & evidence

ORD record
ord-ebb3eef4e1e84a6dac1f9462ab80608b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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