Potassium Cation → 5-[7-(1-methyl-cyclohexanecarbonyl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-thiophene-2-carboxylic acid

HRID 181027Notes

Reaction equation

HRID 181027 reaction equation
[Br:12][c:13]1[n:14][c:15]2[c:16]([n:17][cH:18]1)[n:19]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[cH:20][c:21]2[C:22](=[O:23])[C:24]1([CH3:30])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[C:39](=[O:40])([O-:41])[O-:42].[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[K+:43].[K+:44].[OH2:51].[OH:1][B:2]([c:3]1[cH:4][cH:5][c:6]([C:8](=[O:9])[OH:10])[s:7]1)[OH:11]>>[c:3]1(-[c:13]2[n:14][c:15]3[c:16]([n:17][cH:18]2)[n:19]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[cH:20][c:21]3[C:22](=[O:23])[C:24]2([CH3:30])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[cH:4][cH:5][c:6]([C:8](=[O:9])[OH:10])[s:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27798075-Boronothiophene-2-carboxylic acidHCID 57829583[2-bromo-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methyl-cyclohexyl)-methanone

Product 1

HCID 578295975-[7-(1-methyl-cyclohexanecarbonyl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-thiophene-2-carboxylic acid

Sources & evidence

ORD record
ord-3b60af662b174213895c0012bda298f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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