Ethanol → HCID 68543891, compound

HRID 690012Notes

Reaction equation

HRID 690012 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:9]2([CH3:26])[N:10]=[C:11]([NH:17][C:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)=[O:25])[S:12][C:13]([CH3:15])([CH3:16])[CH2:14]2)[cH:5][cH:6][c:7]1[F:8].[C:36](=[O:37])([O-:38])[O-:39].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[CH3:51][CH2:52][OH:53].[Cl:42][CH2:43][Cl:44].[Cs+:40].[Cs+:41].[OH2:54].[n:27]1[cH:28][n:29][cH:30][c:31]([B:33]([OH:34])[OH:35])[cH:32]1>>[c:2]1(-[c:31]2[cH:30][n:29][cH:28][n:27][cH:32]2)[cH:3][c:4]([C:9]2([CH3:26])[N:10]=[C:11]([NH:17][C:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)=[O:25])[S:12][C:13]([CH3:15])([CH3:16])[CH2:14]2)[cH:5][cH:6][c:7]1[F:8]

Participants

9

Reactant 8

HCID 702EthanolHCID 962WaterHCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 2795193(Pyrimidin-5-yl)boronic acidHCID 68536964HCID 68536964, compound

Product 1

HCID 68543891HCID 68543891, compound

Sources & evidence

ORD record
ord-30a1c63d424e406aa9f9b744530c433f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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