Acetate → HCID 25119551, compound

HRID 1559874Notes

Reaction equation

HRID 1559874 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:8]2([c:18]3[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]3)[N:9]=[C:10]([NH2:17])[c:11]3[n:12][cH:13][cH:14][cH:15][c:16]32)[cH:5][cH:6][cH:7]1.[C:35](=[O:36])([O-:37])[O-:38].[C:45](=[O:46])([O-:47])[OH:48].[CH3:41][C:42](=[O:43])[O-:44].[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[CH3:56][CH2:57][OH:58].[Cs+:39].[Cs+:40].[Na+:49].[OH2:59].[n:26]1[cH:27][n:28][cH:29][c:30]([B:32]([OH:33])[OH:34])[cH:31]1>>[c:2]1(-[c:30]2[cH:29][n:28][cH:27][n:26][cH:31]2)[cH:3][c:4]([C:8]2([c:18]3[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]3)[N:9]=[C:10]([NH2:17])[c:11]3[n:12][cH:13][cH:14][cH:15][c:16]32)[cH:5][cH:6][cH:7]1

Participants

11

Reactant 10

HCID 175AcetateHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 2795193(Pyrimidin-5-yl)boronic acidHCID 57978150HCID 57978150, compound

Product 1

HCID 25119551HCID 25119551, compound

Sources & evidence

ORD record
ord-5bab294018bd4c97904676c9e15aa20f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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