Acetone → HCID 86603031, compound

HRID 147123Notes

Reaction equation

HRID 147123 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]2[c:11]([C:36]([F:37])([F:38])[F:39])[cH:12][cH:13][cH:14][c:15]2[c:16]1-[c:17]1[cH:18][cH:19][c:20]([O:23][c:24]2[cH:25][c:26]([CH2:30][CH:31]3[O:32][CH2:33][CH2:34][O:35]3)[cH:27][cH:28][cH:29]2)[cH:21][cH:22]1.[CH3:57][C:58]([CH3:59])=[O:60].[c:40]1([CH3:41])[cH:42][cH:43][c:44]([S:45]([O-:46])(=[O:47])=[O:48])[cH:49][cH:50]1.[nH+:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10]2[c:11]([C:36]([F:37])([F:38])[F:39])[cH:12][cH:13][cH:14][c:15]2[c:16]1-[c:17]1[cH:18][cH:19][c:20]([O:23][c:24]2[cH:25][c:26]([CH:58]=[O:60])[cH:27][cH:28][cH:29]2)[cH:21][cH:22]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 67021259HCID 67021259, compound

Product 1

HCID 86603031HCID 86603031, compound

Sources & evidence

ORD record
ord-7321f2b016124f488a1abb62be93d329
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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