Water → HCID 54347827, compound

HRID 1234245Notes

Reaction equation

HRID 1234245 reaction equation
[CH2:39]([CH2:40][CH:41]([CH3:42])[OH:43])[OH:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([CH:24]([CH3:25])[CH3:26])[n:11]([CH:20]=[CH:21][CH:22]=[O:23])[c:12]2-[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[cH:6][cH:7]1.[OH2:27].[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([CH:24]([CH3:25])[CH3:26])[n:11]([CH:20]=[CH:21][CH:22]3[O:23][CH2:39][CH2:40][CH:41]([CH3:42])[O:43]3)[c:12]2-[c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 78961,3-ButanediolHCID 544077203-[4,5-Bis(4-fluorophenyl)-2-(1-methylethyl)-1H-imidazol-1-yl]-2-propenal

Product 1

HCID 54347827HCID 54347827, compound

Sources & evidence

ORD record
ord-c235046b8a9c407893131aef61b7058c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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