Ethanol → HCID 21865165, compound

HRID 155742Notes

Reaction equation

HRID 155742 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH3:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH3:49][CH2:50][OH:51].[Cl:1][c:2]1[cH:3][c:4]([O:8][c:9]2[cH:10][cH:11][c:12]3[cH:13][cH:14][cH:15][n:16][c:17]3[cH:18]2)[n:5][cH:6][n:7]1.[F:26][C:27]([O:28][c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1)([F:38])[F:39].[K+:44].[K+:45].[Na+:48].[OH-:47].[OH2:46]>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([O:28][C:27]([F:26])([F:38])[F:39])[cH:34][cH:33]2)[cH:3][c:4]([O:8][c:9]2[cH:10][cH:11][c:12]3[cH:13][cH:14][cH:15][n:16][c:17]3[cH:18]2)[n:5][cH:6][n:7]1

Participants

10

Reactant 9

HCID 702EthanolHCID 813Potassium Cation2×HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 27343864-(Trifluoromethoxy)phenylboronic acidHCID 21865161HCID 21865161, compound

Product 1

HCID 21865165HCID 21865165, compound

Sources & evidence

ORD record
ord-705eaf33042249808d6ad836473edf75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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