Ethanol → 4-((tert-butoxycarbonylamino)methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

HRID 96858

Reaction equation

HRID 96858 reaction equation
[C:4]([CH3:5])([CH3:6])([CH3:7])[O:8][C:9](=[O:10])[NH:11][CH2:12][C:13]1([C:28](=[O:29])[O:30][CH2:31][CH3:32])[CH2:14][CH2:15][N:16]([c:19]2[c:20]3[c:21]([n:22][cH:23][n:24]2)[nH:25][cH:26][cH:27]3)[CH2:17][CH2:18]1.[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][CH2:40][OH:41].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Li+:3].[OH-:2].[OH2:1].[OH2:33]>>[C:4]([CH3:5])([CH3:6])([CH3:7])[O:8][C:9](=[O:10])[NH:11][CH2:12][C:13]1([C:28](=[O:29])[OH:30])[CH2:14][CH2:15][N:16]([c:19]2[c:20]3[c:21]([n:22][cH:23][n:24]2)[nH:25][cH:26][cH:27]3)[CH2:17][CH2:18]1

Participants

8

Reactant 7

HCID 702EthanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 57750296ethyl 4-((tert-butoxycarbonylamino)methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

Product 1

HCID 446042214-((tert-butoxycarbonylamino)methyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylic acid

Sources & evidence

ORD record
ord-411a8aabb98448c48397c1535d20f328
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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