Acetone → HCID 68668307, compound

HRID 141380Notes

Reaction equation

HRID 141380 reaction equation
[CH3:1][N+:2]1([O-:3])[CH2:4][CH2:6][O:5][CH2:7][CH2:8]1.[CH3:59][C:60]([CH3:61])=[O:62].[CH3:9][C:10]([CH2:11][c:12]1[n:13][c:14]([CH2:36][C:37]([CH:38]([F:39])[F:40])([OH:41])[c:42]2[cH:43][cH:44][c:45](-[c:48]3[n:49][cH:50][c:51]([F:54])[cH:52][cH:53]3)[cH:46][cH:47]2)[n:15]([C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:16]1)([CH:55]=[CH2:56])[CH3:57].[OH2:58]>>[OH:5][CH:55]([C:10]([CH3:9])([CH2:11][c:12]1[n:13][c:14]([CH2:36][C:37]([CH:38]([F:39])[F:40])([OH:41])[c:42]2[cH:43][cH:44][c:45](-[c:48]3[n:49][cH:50][c:51]([F:54])[cH:52][cH:53]3)[cH:46][cH:47]2)[n:15]([C:17]([c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:16]1)[CH3:57])[CH2:56][OH:58]

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 82029Methyl morpholine oxideHCID 68667693HCID 68667693, compound

Product 1

HCID 68668307HCID 68668307, compound

Sources & evidence

ORD record
ord-d5b98958bde8419ab9f3677d506d7874
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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