Methyl Ethyl Ketone → HCID 178458151, compound
Reaction equation
[CH3:1][C:2]1([CH3:3])[CH2:6][O:7][CH:5]([CH:8]([CH3:9])[CH:10]2[CH2:11][CH2:12][CH:13]3[C:14]4=[CH:15][CH:16]=[C:17]5[CH2:18][CH:19]([O:35][C:36]([NH:37][c:38]6[cH:39][cH:40][cH:41][cH:42][cH:43]6)=[O:44])[CH2:20][CH:21]([O:29][C:30]([N:31]([CH3:32])[CH3:33])=[O:34])[C:22]5([CH3:23])[CH:24]4[CH2:25][CH2:26][C:27]23[CH3:28])[O:4][CH2:45]1.[CH3:63][C:64](=[O:65])[CH2:66][CH3:67].[c:46]1([CH3:47])[cH:48][cH:49][c:50]([S:51]([O-:52])(=[O:53])=[O:54])[cH:55][cH:56]1.[nH+:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[O:4]=[CH:5][CH:8]([CH3:9])[CH:10]1[CH2:11][CH2:12][CH:13]2[C:14]3=[CH:15][CH:16]=[C:17]4[CH2:18][CH:19]([O:35][C:36]([NH:37][c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)=[O:44])[CH2:20][CH:21]([O:29][C:30]([N:31]([CH3:32])[CH3:33])=[O:34])[C:22]4([CH3:23])[CH:24]3[CH2:25][CH2:26][C:27]12[CH3:28]Participants
5
Sources & evidence
- ORD record
- ord-3b0ab9121ce7468f9fa000a5aafd9967
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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