Acetone → HCID 58847342, compound

HRID 147145Notes

Reaction equation

HRID 147145 reaction equation
[CH3:57][C:58](=[O:59])[CH3:60].[O:18]1[CH:19]([c:23]2[c:24]([CH3:56])[c:25]([N:42]3[CH2:43][CH2:44][N:45]([c:48]4[cH:49][cH:50][c:51]([O:54][CH3:55])[cH:52][cH:53]4)[CH2:46][CH2:47]3)[c:26]([CH3:41])[c:27]3[c:31]2[O:30][C:29]([CH3:32])([CH3:33])[CH:28]3[c:34]2[cH:35][cH:36][c:37]([CH3:40])[cH:38][cH:39]2)[O:22][CH2:21][CH2:20]1.[OH2:61].[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]([CH3:56])[c:25]([N:42]2[CH2:43][CH2:44][N:45]([c:48]3[cH:49][cH:50][c:51]([O:54][CH3:55])[cH:52][cH:53]3)[CH2:46][CH2:47]2)[c:26]([CH3:41])[c:27]2[c:31]1[O:30][C:29]([CH3:32])([CH3:33])[CH:28]2[c:34]1[cH:35][cH:36][c:37]([CH3:40])[cH:38][cH:39]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 962WaterHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 10143110HCID 10143110, compound

Product 1

HCID 58847342HCID 58847342, compound

Sources & evidence

ORD record
ord-47abdb9cd4a04eb5bedf081dcf92d80e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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