Ethanol → HCID 66753012, compound

HRID 683472Notes

Reaction equation

HRID 683472 reaction equation
[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:56][CH2:57][OH:58].[Cl:1][c:2]1[cH:3][n:4]2[c:5]([n:6][c:7]([CH:12]=[CH:13][c:14]3[c:15]([O:22][CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[c:16]([O:20][CH3:21])[cH:17][cH:18][cH:19]3)[c:8]([I:11])[c:9]2=[O:10])[s:28]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]>>[Cl:1][c:2]1[cH:3][n:4]2[c:5]([n:6][c:7]([CH:12]=[CH:13][c:14]3[c:15]([O:22][CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[c:16]([O:20][CH3:21])[cH:17][cH:18][cH:19]3)[c:8](-[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:9]2=[O:10])[s:28]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 27343864-(Trifluoromethoxy)phenylboronic acidHCID 66753262HCID 66753262, compound

Product 1

HCID 66753012HCID 66753012, compound

Sources & evidence

ORD record
ord-6d43af7bbed4431385c04c5f52acc7a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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