Ethanol → HCID 66752909, compound

HRID 2161395Notes

Reaction equation

HRID 2161395 reaction equation
[CH3:1][c:2]1[n:3][c:4]2[n:5]([c:6](=[O:16])[c:7]1-[c:8]1[cH:9][cH:10][c:11]([C:12]#[N:13])[cH:14][cH:15]1)[cH:17][cH:18][s:19]2.[CH3:20][O:21][c:22]1[cH:23][cH:24][c:25]([B:26]([OH:27])[OH:28])[cH:29][cH:30]1.[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[CH3:64][CH2:65][OH:66].[F:37][c:38]1[cH:39][c:40](-[c:41]2[c:42](=[O:43])[n:44]3[cH:45][cH:46][s:47][c:48]3[n:49][c:50]2[CH3:51])[cH:52][c:53]([F:54])[cH:55]1.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[OH2:63]>>[CH3:1][c:2]1[n:3][c:4]2[n:5]([c:6](=[O:16])[c:7]1-[c:8]1[cH:9][cH:10][c:11]([O:21][CH3:20])[cH:14][cH:15]1)[cH:17][cH:18][s:19]2

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 201262(4-Methoxyphenyl)boronic acidHCID 66752927HCID 66752927, compoundHCID 667534716-(3,5-Difluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Product 1

HCID 66752909HCID 66752909, compound

Sources & evidence

ORD record
ord-f47fa4c6c9764d939a94610e8167e45b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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