Acetic Acid → HCID 178502774, compound

HRID 90059Notes

Reaction equation

HRID 90059 reaction equation
[C:53].[CH3:1][OH:2].[CH3:3][C:4](=[O:5])[OH:6].[NH2:7][c:8]1[s:9][cH:10][c:11]([C:13]([C:14](=[O:15])[NH:16][CH:17]2[CH:18]3[N:19]([CH:20]([C:29](=[O:30])[O:31][CH2:32][c:33]4[cH:34][cH:35][c:36]([N+:37]([O-:38])=[O:39])[cH:40][cH:41]4)[C:21](=[CH:24][O:25][C:26]([CH3:27])=[O:28])[CH2:22][S:23]3)[C:42]2=[O:43])=[N:44][O:45][CH3:46])[n:12]1.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:47].[Pd:54]>>[NH2:7][c:8]1[s:9][cH:10][c:11]([C:13]([C:14](=[O:15])[NH:16][CH:17]2[CH:18]3[N:19]([CH:20]([C:29](=[O:30])[OH:31])[C:21](=[CH:24][O:25][C:26]([CH3:27])=[O:28])[CH2:22][S:23]3)[C:42]2=[O:43])=[N:44][O:45][CH3:46])[n:12]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 297MethaneHCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 23938PalladiumHCID 178502754HCID 178502754, compound

Product 1

HCID 178502774HCID 178502774, compound

Sources & evidence

ORD record
ord-76661b4f5f334c18982061724a96f44c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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