Ethanol → HCID 499749, compound

HRID 688852Notes

Reaction equation

HRID 688852 reaction equation
[CH3:28][O:29][CH:30]([CH2:31][NH2:32])[O:33][CH3:34].[CH3:35][CH2:36][OH:37].[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]3[n:20][cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27]3)[CH2:15][CH2:16]2)[n:7][cH:8][cH:9][cH:10]1>>[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[c:6]([N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]3[n:20][cH:21][c:22]([C:23](=[O:24])[NH:32][CH2:31][CH:30]([O:29][CH3:28])[O:33][CH3:34])[cH:26][cH:27]3)[CH2:15][CH2:16]2)[n:7][cH:8][cH:9][cH:10]1

Participants

5

Reactant 4

HCID 702EthanolHCID 8058HexaneHCID 89728Aminoacetaldehyde dimethyl acetalHCID 183628186-[1-[3-(Isopropylamino)-2-pyridyl]piperazin-4-yl-carbonyl]nicotinic acid

Product 1

HCID 499749HCID 499749, compound

Sources & evidence

ORD record
ord-63b4012d53c04d44835fd0361c98c47d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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