Isoamyl Nitrite → 2-(2-Iodo-pyrimidin-4-yl)-4-oxo-1-(2,2,2-trifluoro-ethyl)-1,4,6,7-tetrahydro-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester

HRID 1141659Notes

Reaction equation

HRID 1141659 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9](=[O:29])[c:10]2[c:11]([n:14]([CH2:24][C:25]([F:26])([F:27])[F:28])[c:15](-[c:17]3[n:18][c:19]([NH2:23])[n:20][cH:21][cH:22]3)[cH:16]2)[CH2:12][CH2:13]1.[CH2:41]([CH2:42][O:43][CH3:44])[O:45][CH3:46].[Cs+:31].[Cu:47]([I:48])[I:49].[I-:30].[I:32].[N:33]([O:34][CH2:35][CH2:36][CH:37]([CH3:38])[CH3:39])=[O:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9](=[O:29])[c:10]2[c:11]([n:14]([CH2:24][C:25]([F:26])([F:27])[F:28])[c:15](-[c:17]3[n:18][c:19]([I:30])[n:20][cH:21][cH:22]3)[cH:16]2)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 8053Isoamyl NitriteHCID 80711,2-DimethoxyethaneHCID 24841Hydrogen iodideHCID 30165Iodide IonHCID 83717Copper iodideHCID 104967Cesium cationHCID 247770392-(2-Amino-pyrimidin-4-yl)-4-oxo-1-(2,2,2-trifluoro-ethyl)-1,4,6,7-tetrahydro-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester

Product 1

HCID 866651442-(2-Iodo-pyrimidin-4-yl)-4-oxo-1-(2,2,2-trifluoro-ethyl)-1,4,6,7-tetrahydro-pyrrolo[3,2-c]pyridine-5-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-b11ca3b9892d41e59934440ed08471cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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