Ethanol → 1-(4-((1-(tert-Butoxycarbonyl)piperidin-3-yl)methylamino)-6-(5-cyanopyrazin-2-ylamino)pyridin-3-yl)-1H-pyrrole-3-carboxylic acid

HRID 302579Notes

Reaction equation

HRID 302579 reaction equation
[C:1](#[N:2])[c:3]1[n:4][cH:5][c:6]([NH:9][c:10]2[n:11][cH:12][c:13](-[n:31]3[cH:32][c:33]([C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:34][cH:35]3)[c:14]([NH:16][CH2:17][CH:18]3[CH2:19][N:20]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:21][CH2:22][CH2:23]3)[cH:15]2)[n:7][cH:8]1.[CH3:43][CH2:44][OH:45].[K+:42].[OH-:41]>>[C:1](#[N:2])[c:3]1[n:4][cH:5][c:6]([NH:9][c:10]2[n:11][cH:12][c:13](-[n:31]3[cH:32][c:33]([C:36](=[O:37])[OH:38])[cH:34][cH:35]3)[c:14]([NH:16][CH2:17][CH:18]3[CH2:19][N:20]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:21][CH2:22][CH2:23]3)[cH:15]2)[n:7][cH:8]1

Participants

5

Reactant 4

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 71022175tert-Butyl 3-((2-(5-cyanopyrazin-2-ylamino)-5-(3-(ethoxycarbonyl)-1H-pyrrol-1-yl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate

Product 1

HCID 667465061-(4-((1-(tert-Butoxycarbonyl)piperidin-3-yl)methylamino)-6-(5-cyanopyrazin-2-ylamino)pyridin-3-yl)-1H-pyrrole-3-carboxylic acid

Sources & evidence

ORD record
ord-f9c8adff94964f0bb17c4f88c803a62f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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