Acetone → HCID 178421004, compound

HRID 190654Notes

Reaction equation

HRID 190654 reaction equation
[CH2:1]1[O:2][C:3]2([C:4]3([CH3:5])[CH:6]([CH:7]=[CH:8]2)[CH:9]2[CH:10]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][OH:27])[CH2:11][c:12]4[cH:13][c:14]([OH:21])[cH:15][cH:16][c:17]4[CH:18]2[CH2:19][CH2:20]3)[O:29][CH2:28]1.[CH3:41][C:42](=[O:43])[CH3:44].[OH2:45].[c:30]1([CH3:31])[cH:32][cH:33][c:34]([S:35]([OH:36])(=[O:37])=[O:38])[cH:39][cH:40]1>>[O:2]=[C:3]1[C:4]2([CH3:5])[CH:6]([CH:7]=[CH:8]1)[CH:9]1[CH:10]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][OH:27])[CH2:11][c:12]3[cH:13][c:14]([OH:21])[cH:15][cH:16][c:17]3[CH:18]1[CH2:19][CH2:20]2

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 178421003HCID 178421003, compound

Product 1

HCID 178421004HCID 178421004, compound

Sources & evidence

ORD record
ord-7252d7a7ba224143923050ae3b2cf0f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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