Acetone → HCID 86613919, compound

HRID 2124368Notes

Reaction equation

HRID 2124368 reaction equation
[CH3:48][C:49](=[O:50])[CH3:51].[O:18]1[CH:19]([c:23]2[c:24]3[c:29]([c:30]([O:33][CH3:34])[cH:31][cH:32]2)[N:28]([CH2:35][c:36]2[cH:37][n:38][c:39](-[c:42]4[cH:43][s:44][cH:45][cH:46]4)[cH:40][cH:41]2)[C:27](=[O:47])[CH2:26][CH2:25]3)[O:22][CH2:21][CH2:20]1.[OH2:52].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O-:7])(=[O:8])=[O:9])[cH:10][cH:11]1.[nH+:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[O:18]=[CH:19][c:23]1[c:24]2[c:29]([c:30]([O:33][CH3:34])[cH:31][cH:32]1)[N:28]([CH2:35][c:36]1[cH:37][n:38][c:39](-[c:42]3[cH:43][s:44][cH:45][cH:46]3)[cH:40][cH:41]1)[C:27](=[O:47])[CH2:26][CH2:25]2

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 66596896HCID 66596896, compound

Product 1

HCID 86613919HCID 86613919, compound

Sources & evidence

ORD record
ord-81af43b0d1cf4de2ab533a69e859d4bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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