Nicotinic Acid → HCID 69811595, compound

HRID 100008Notes

Reaction equation

HRID 100008 reaction equation
[CH3:25][CH2:26][N:27]=[C:28]=[N:29][CH2:30][CH2:31][CH2:32][N:33]([CH3:34])[CH3:35].[CH3:36][C:37]#[N:38].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[NH2:1][CH2:2][CH2:3][N:4]([CH2:5][CH2:6][NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[CH3:15].[OH:16][C:17](=[O:18])[c:19]1[cH:20][cH:21][cH:22][n:23][cH:24]1>>[NH:1]([CH2:2][CH2:3][N:4]([CH2:5][CH2:6][NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[CH3:15])[C:17](=[O:16])[c:19]1[cH:20][cH:21][cH:22][n:23][cH:24]1

Participants

6

Reactant 5

HCID 938Nicotinic AcidHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 45092277tert-Butyl {2-[(2-aminoethyl)(methyl)amino]ethyl}carbamate

Product 1

HCID 69811595HCID 69811595, compound

Sources & evidence

ORD record
ord-f360b5dba63d4665a9893142c6f18165
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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