Ethanol → HCID 66753266, compound

HRID 144849Notes

Reaction equation

HRID 144849 reaction equation
[CH3:1][c:2]1[n:3][c:4]2[s:5][c:6]3[c:7]([n:8]2[c:9](=[O:19])[c:10]1-[c:11]1[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]1)[cH:20][cH:21][cH:22][cH:23]3.[CH3:43][CH2:44][OH:45].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[F:24][C:25]([c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1)([F:35])[F:36].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[OH2:53]>>[CH3:1][c:2]1[n:3][c:4]2[s:5][c:6]3[c:7]([n:8]2[c:9](=[O:19])[c:10]1-[c:29]1[cH:28][cH:27][c:26]([C:25]([F:24])([F:35])[F:36])[cH:31][cH:30]1)[cH:20][cH:21][cH:22][cH:23]3

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 667526544-(2-Methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzonitrile

Product 1

HCID 66753266HCID 66753266, compound

Sources & evidence

ORD record
ord-fd3ed3e068814013a671a7f02a91d4e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…