Ethanol → HCID 66753265, compound

HRID 1558139Notes

Reaction equation

HRID 1558139 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.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:67][CH2:68][OH:69].[F:20][C:21]([O:22][c:23]1[cH:24][cH:25][c:26]([B:27]([OH:28])[OH:29])[cH:30][cH:31]1)([F:32])[F:33].[F:40][c:41]1[cH:42][c:43](-[c:44]2[c:45](=[O:46])[n:47]3[cH:48][cH:49][s:50][c:51]3[n:52][c:53]2[CH3:54])[cH:55][c:56]([F:57])[cH:58]1.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH2:66]>>[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:22][C:21]([F:20])([F:32])[F:33])[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 27343864-(Trifluoromethoxy)phenylboronic acidHCID 66752927HCID 66752927, compoundHCID 667534716-(3,5-Difluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Product 1

HCID 66753265HCID 66753265, compound

Sources & evidence

ORD record
ord-8bab3bd026f94b7aa1a067ff46c7d044
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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