Potassium Cation → 4-[1-(1-Cyclopentylbut-3-yn-1-yl)-1H-pyrazol-4-yl]-7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidine

HRID 690470Notes

Reaction equation

HRID 690470 reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:50][OH:51].[CH:7]1([CH:12]([CH2:13][CH:14]=[O:15])[n:16]2[n:17][cH:18][c:19](-[c:21]3[c:22]4[c:23]([n:24][cH:25][n:26]3)[n:27]([CH2:30][O:31][CH2:32][CH2:33][Si:34]([CH3:35])([CH3:36])[CH3:37])[cH:28][cH:29]4)[cH:20]2)[CH2:8][CH2:9][CH2:10][CH2:11]1.[K+:5].[K+:6].[N+:38](=[C:39]([P:40](=[O:41])([O:42][CH3:43])[O:44][CH3:45])[C:46](=[O:47])[CH3:48])=[N-:49].[OH2:52]>>[CH:1]#[C:14][CH2:13][CH:12]([CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1)[n:16]1[n:17][cH:18][c:19](-[c:21]2[c:22]3[c:23]([n:24][cH:25][n:26]2)[n:27]([CH2:30][O:31][CH2:32][CH2:33][Si:34]([CH3:35])([CH3:36])[CH3:37])[cH:28][cH:29]3)[cH:20]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 574780313-Cyclopentyl-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanalHCID 136023029(1E)-1-diazo-1-dimethoxyphosphorylpropan-2-one

Product 1

HCID 574781104-[1-(1-Cyclopentylbut-3-yn-1-yl)-1H-pyrazol-4-yl]-7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidine

Sources & evidence

ORD record
ord-cb57b44b7ad14efb82572d206809491e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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