Potassium Cation → HCID 178430950, compound

HRID 1136926Notes

Reaction equation

HRID 1136926 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][N:12]2[C:13](=[O:22])[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[C:20]2=[O:21])[CH2:23][c:24]2[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]2)[s:5][cH:6]1.[CH3:40][n:41]1[n:42][cH:43][c:44]([CH3:55])[c:45]1[B:46]1[O:47][C:48]([CH3:49])([CH3:50])[C:51]([CH3:52])([CH3:53])[O:54]1.[K+:34].[K+:35].[O-:36][C:37]([O-:38])=[O:39].[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[OH2:62]>>[c:2]1(-[c:45]2[n:41]([CH3:40])[n:42][cH:43][c:44]2[CH3:55])[cH:3][c:4]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][N:12]2[C:13](=[O:22])[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[C:20]2=[O:21])[CH2:23][c:24]2[c:25]([C:30]([F:31])([F:32])[F:33])[cH:26][cH:27][cH:28][cH:29]2)[s:5][cH:6]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 578266761,4-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 765763614-bromo-N-[1-(1,3-dioxoisoindol-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-yl]thiophene-2-carboxamide

Product 1

HCID 178430950HCID 178430950, compound

Sources & evidence

ORD record
ord-ca9e9d80c8df4e04941bbe16e521a93b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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