Potassium Cation → HCID 72328318, compound

HRID 194754Notes

Reaction equation

HRID 194754 reaction equation
[Br:44][c:45]1[cH:46][c:47]2[c:48]([n:49][cH:50]1)[C:51](=[O:55])[N:52]([CH3:54])[CH2:53]2.[C:1](=[O:2])([O-:3])[O-:4].[CH3:57][C:58]#[N:59].[K+:5].[K+:6].[NH2:7][C:8]([CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([B:17]2[O:18][C:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25]2)[cH:15][cH:16]1)[NH:26][C:27](=[O:28])[C:29]1([NH:35][C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1)=[O:43].[OH2:56]>>[NH2:7][C:8]([CH:9]([CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:45]2[cH:46][c:47]3[c:48]([n:49][cH:50]2)[C:51](=[O:55])[N:52]([CH3:54])[CH2:53]3)[cH:15][cH:16]1)[NH:26][C:27](=[O:28])[C:29]1([NH:35][C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1)=[O:43]

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 595685813-bromo-6-methyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-7-oneHCID 66645178tert-butyl N-[4-[[1-amino-1-oxo-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-yl]carbamoyl]oxan-4-yl]carbamate

Product 1

HCID 72328318HCID 72328318, compound

Sources & evidence

ORD record
ord-6a315abe92c547b4ba05b9091da65185
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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