Ethanol → HCID 66753802, compound

HRID 2344753Notes

Reaction equation

HRID 2344753 reaction equation
[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:56][CH2:57][OH:58].[CH:1]1([CH2:4][O:5][c:6]2[c:7]([CH:14]=[CH:15][c:16]3[n:17][c:18]4[n:19]([c:20](=[O:23])[c:21]3[I:22])[c:24]([CH3:28])[c:25]([CH3:27])[s:26]4)[cH:8][cH:9][cH:10][c:11]2[O:12][CH3:13])[CH2:2][CH2:3]1.[F:29][C:30]([O:31][c:32]1[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]1)([F:41])[F:42].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[OH2:59]>>[CH:1]1([CH2:4][O:5][c:6]2[c:7]([CH:14]=[CH:15][c:16]3[n:17][c:18]4[n:19]([c:20](=[O:23])[c:21]3-[c:35]3[cH:34][cH:33][c:32]([O:31][C:30]([F:29])([F:41])[F:42])[cH:37][cH:36]3)[c:24]([CH3:28])[c:25]([CH3:27])[s:26]4)[cH:8][cH:9][cH:10][c:11]2[O:12][CH3:13])[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 27343864-(Trifluoromethoxy)phenylboronic acidHCID 66753126HCID 66753126, compound

Product 1

HCID 66753802HCID 66753802, compound

Sources & evidence

ORD record
ord-a46292c5a9fa4273b3d45c8f1f11ab73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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