Acetic Acid → HCID 21290634, compound

HRID 700525Notes

Reaction equation

HRID 700525 reaction equation
[C:31].[CH3:26][C:27](=[O:28])[OH:29].[H:24][H:25].[NH2:1][c:2]1[n:3][c:4]([Cl:23])[c:5]([CH:9]2[CH2:10][CH2:11][N:12]([c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[c:6]([NH2:8])[n:7]1.[OH2:30].[Pd:32]>>[NH2:1][c:2]1[n:3][cH:4][c:5]([CH:9]2[CH2:10][CH2:11][N:12]([c:15]3[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[c:6]([NH2:8])[n:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 297MethaneHCID 962WaterHCID 23938PalladiumHCID 21290645HCID 21290645, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 21290634HCID 21290634, compound

Sources & evidence

ORD record
ord-00aa769e0fe4443c86bfb02722cd72a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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