Acetic Acid → HCID 178432610, compound

HRID 1123587Notes

Reaction equation

HRID 1123587 reaction equation
[CH3:29][C:30](=[O:31])[OH:32].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[CH3:43][S:44]([CH3:45])=[O:46].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([CH3:28])[n:7][c:8]1-[c:9]1[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[NH:24][CH2:25][CH2:26][CH2:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[K:33][O:34][C:35]#[N:36].[OH2:42]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6]([CH3:28])[n:7][c:8]1-[c:9]1[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21]([CH:23]3[N:24]([C:35](=[O:34])[NH2:36])[CH2:25][CH2:26][CH2:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 6228DimethylformamideHCID 58204769HCID 58204769, compoundHCID 178418250HCID 178418250, compound

Product 1

HCID 178432610HCID 178432610, compound

Sources & evidence

ORD record
ord-ec087c46db8441608f2c18408b8b8d3b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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