Methane → 4-(3,3-difluoro-1,6-diaza-spiro[3.5]non-6-yl)-7H-pyrrolo[2,3-d]pyrimidine

Reaction equation

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

Participants

Reactant 5

HCID 297Methane

HCID 887Methanol

HCID 8028Tetrahydrofuran

HCID 23938Palladium

HCID 582932923,3-difluoro-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,6-diaza-spiro[3.5]nonane-1-carboxylic acid benzyl ester

Product 1

HCID 582934094-(3,3-difluoro-1,6-diaza-spiro[3.5]non-6-yl)-7H-pyrrolo[2,3-d]pyrimidine

Sources & evidence

ORD record: ord-4e3cc3f13d654ad796aad064b191d9ad
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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