Nicotinic Acid → HCID 178493847, compound

HRID 160464Notes

Reaction equation

HRID 160464 reaction equation
[CH3:1][CH:2]1[O:3][CH:4]([CH3:28])[CH2:5][N:6]([CH2:8][CH2:9][CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]3[c:20]([c:21]2[O:22][CH3:23])[N:19]=[C:18]([NH2:24])[N:17]2[C:16]3=[N:27][CH2:26][CH2:25]2)[CH2:7]1.[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][cH:35][n:36][cH:37]1>>[CH3:1][CH:2]1[O:3][CH:4]([CH3:28])[CH2:5][N:6]([CH2:8][CH2:9][CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]3[c:20]([c:21]2[O:22][CH3:23])[N:19]=[C:18]([NH:24][C:30](=[O:29])[c:32]2[cH:33][cH:34][cH:35][n:36][cH:37]2)[N:17]2[C:16]3=[N:27][CH2:26][CH2:25]2)[CH2:7]1

Participants

6

Reactant 5

HCID 938Nicotinic AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 178493849HCID 178493849, compound

Product 1

HCID 178493847HCID 178493847, compound

Sources & evidence

ORD record
ord-4758591539084c30be2faf27ec27a144
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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