Acetate → HCID 89456859, compound

HRID 1205373Notes

Reaction equation

HRID 1205373 reaction equation
[CH3:46][C:47](=[O:48])[O-:49].[CH3:56][C:57]#[N:58].[F:35][c:36]1[c:37]([B:42]([OH:43])[OH:44])[cH:38][cH:39][cH:40][cH:41]1.[K+:45].[NH2:1][c:2]1[c:3]([C:9](=[O:10])[NH:11][c:12]2[cH:13][n:14][n:15]([CH2:31][CH:32]([F:33])[F:34])[c:16]2[N:17]2[CH2:18][CH2:19][CH:20]([NH:24][C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[CH2:21][CH2:22][CH2:23]2)[n:4][c:5]([Br:8])[cH:6][cH:7]1.[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55]>>[NH2:1][c:2]1[c:3]([C:9](=[O:10])[NH:11][c:12]2[cH:13][n:14][n:15]([CH2:31][CH:32]([F:33])[F:34])[c:16]2[N:17]2[CH2:18][CH2:19][CH:20]([NH:24][C:25]([C:26]([F:27])([F:28])[F:29])=[O:30])[CH2:21][CH2:22][CH2:23]2)[n:4][c:5](-[c:37]2[c:36]([F:35])[cH:41][cH:40][cH:39][cH:38]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 175AcetateHCID 813Potassium CationHCID 923Sodium ion2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 27343542-Fluorophenylboronic acidHCID 89456932HCID 89456932, compound

Product 1

HCID 89456859HCID 89456859, compound

Sources & evidence

ORD record
ord-5f6da72b130241e6bfc24dc69bb60e7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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