Ethanol → HCID 178452978, compound

HRID 120561Notes

Reaction equation

HRID 120561 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:8]2([CH3:24])[N:9]=[C:10]([NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[S:11][CH:12]([CH2:14][OH:15])[CH2:13]2)[cH:5][cH:6][cH:7]1.[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[CH3:46][CH2:47][OH:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cs+:38].[Cs+:39].[OH2:55].[n:25]1[cH:26][n:27][cH:28][c:29]([B:31]([OH:32])[OH:33])[cH:30]1>>[c:2]1(-[c:29]2[cH:28][n:27][cH:26][n:25][cH:30]2)[cH:3][c:4]([C:8]2([CH3:24])[N:9]=[C:10]([NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[S:11][CH:12]([CH2:14][OH:15])[CH2:13]2)[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 702EthanolHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 2795193(Pyrimidin-5-yl)boronic acidHCID 178452977HCID 178452977, compound

Product 1

HCID 178452978HCID 178452978, compound

Sources & evidence

ORD record
ord-51eb27e4f7b746b89cdd9170f6d0745f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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