Ethanol → HCID 66752927, compound

HRID 1545223Notes

Reaction equation

HRID 1545223 reaction equation
[C:12](=[O:13])([O-:14])[O-:15].[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[CH3:18][CH2:19][OH:20].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[F:21][c:22]1[cH:23][c:24](-[c:29]2[c:30]([CH3:39])[n:31][c:32]3[n:33]([c:34]2=[O:35])[cH:36][cH:37][s:38]3)[cH:25][c:26]([F:27])[cH:28]1.[Na+:16].[Na+:17].[OH2:47]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6](-[c:29]2[c:30]([CH3:39])[n:31][c:32]3[n:33]([c:34]2=[O:35])[cH:36][cH:37][s:38]3)[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 27343264-Cyanophenylboronic acidHCID 667534716-(3,5-Difluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Product 1

HCID 66752927HCID 66752927, compound

Sources & evidence

ORD record
ord-ddd4471f903143fcafa0618893c258c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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