Ethanol → 2-Methyl-3-[4-(trifluoromethoxy)phenyl]-4H-pyrimido[2,1-b][1,3]benzo thiazol-4-one

HRID 1202406Notes

Reaction equation

HRID 1202406 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.[CH3:44][CH2:45][OH:46].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[F:24][C:25]([O:26][c:27]1[cH:28][cH:29][c:30]([B:31]([OH:32])[OH:33])[cH:34][cH:35]1)([F:36])[F:37].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:54]>>[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]([O:26][C:25]([F:24])([F:36])[F:37])[cH:17][cH:18]1)[cH:20][cH:21][cH:22][cH:23]3

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 27343864-(Trifluoromethoxy)phenylboronic acidHCID 667526544-(2-Methyl-4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzonitrile

Product 1

HCID 667536762-Methyl-3-[4-(trifluoromethoxy)phenyl]-4H-pyrimido[2,1-b][1,3]benzo thiazol-4-one

Sources & evidence

ORD record
ord-6764d12fcfe74ae4bc3dafe2430b128e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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