1-Propanol → 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-5-nitro-, propyl ester

HRID 2154170Notes

Reaction equation

HRID 2154170 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[cH:6][c:7]([C:17]#[N:18])[c:8]2[c:9]1[n:10][cH:11][c:12]([N+:14](=[O:15])[O-:16])[cH:13]2.[CH2:30]([CH2:31][CH3:32])[OH:33].[CH3:34][O:35][C:36]([CH3:37])([CH3:38])[CH3:39].[c:19]1([CH3:20])[cH:21][cH:22][c:23]([S:24]([OH:25])(=[O:26])=[O:27])[cH:28][cH:29]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[n:5]1[cH:6][c:7]([C:17](=[O:26])[O:33][CH2:30][CH2:31][CH3:32])[c:8]2[c:9]1[n:10][cH:11][c:12]([N+:14](=[O:15])[O-:16])[cH:13]2

Participants

5

Reactant 4

HCID 10311-PropanolHCID 6101p-Toluenesulfonic acidHCID 15413tert-Butyl methyl etherHCID 669245201H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 1-(1,1-dimethylethyl)-5-nitro-

Product 1

HCID 669245181H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-5-nitro-, propyl ester

Sources & evidence

ORD record
ord-8262cb6fe2f6418cabe56cc412bd00af
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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