Potassium Cation → HCID 78005596, compound

HRID 1225794Notes

Reaction equation

HRID 1225794 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:25])[c:5](-[n:8]2[c:9](=[O:24])[nH:10][n:11][c:12]2[CH2:13][CH:14]2[CH2:15][N:16]([C:19](=[O:20])[CH:21]3[CH2:22][CH2:23]3)[CH2:17][CH2:18]2)[cH:6][cH:7]1.[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[K+:38].[K+:39].[O-:40][C:41]([O-:42])=[O:43].[OH2:50].[nH:26]1[cH:27][cH:28][c:29]2[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][c:34]12>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]3[cH:28][cH:27][nH:26][c:34]3[cH:33]2)[cH:3][c:4]([CH3:25])[c:5](-[n:8]2[c:9](=[O:24])[nH:10][n:11][c:12]2[CH2:13][CH:14]2[CH2:15][N:16]([C:19](=[O:20])[CH:21]3[CH2:22][CH2:23]3)[CH2:17][CH2:18]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27632051H-Indol-6-ylboronic acidHCID 1784224334-(4-bromo-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one

Product 1

HCID 78005596HCID 78005596, compound

Sources & evidence

ORD record
ord-7560a1552dec428e9d7bf9b7745a3f89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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