Acetic Acid → HCID 21220234, compound

HRID 2144037Notes

Reaction equation

HRID 2144037 reaction equation
[C:50].[CH2:1]([O:2][C:3](=[O:4])[N:11]1[CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:20]3[c:21]([F:39])[cH:22][c:23]4[c:24](=[O:38])[c:25]([C:35](=[O:36])[OH:37])[cH:26][n:27]([CH:31]5[CH:32]([F:34])[CH2:33]5)[c:28]4[c:29]3[Cl:30])[cH:17][c:18]2[CH2:19]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[CH3:40][CH2:41][OH:42].[CH3:46][C:47](=[O:48])[OH:49].[Na+:44].[OH-:43].[OH2:45].[Pd:51]>>[NH:11]1[CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:20]3[c:21]([F:39])[cH:22][c:23]4[c:24](=[O:38])[c:25]([C:35](=[O:36])[OH:37])[cH:26][n:27]([CH:31]5[CH:32]([F:34])[CH2:33]5)[c:28]4[c:29]3[Cl:30])[cH:17][c:18]2[CH2:19]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 297MethaneHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 23938PalladiumHCID 178524695HCID 178524695, compound

Product 1

HCID 21220234HCID 21220234, compound

Sources & evidence

ORD record
ord-f21e8d458abe445c9947fbcb05dea3cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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