Ethanol → HCID 66752935, compound

HRID 2157230Notes

Reaction equation

HRID 2157230 reaction equation
[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:55][CH2:56][OH:57].[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])[cH:24][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:28][C:29]([O:30][c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1)([F:40])[F:41].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[OH2:58]>>[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-[c:34]3[cH:33][cH:32][c:31]([O:30][C:29]([F:28])([F:40])[F:41])[cH:36][cH:35]3)[cH:24][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 66753293HCID 66753293, compound

Product 1

HCID 66752935HCID 66752935, compound

Sources & evidence

ORD record
ord-09990bfa899c424589a6115499db837d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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