Acetone → HCID 178422633, compound
Reaction equation
[CH2:1]1[O:2][C:4]([C:5]2=[C:24]([CH3:25])[CH2:23][CH:8]3[C:6]2([CH3:7])[CH2:12][CH2:11][CH:10]2[CH:9]3[CH2:22][CH:21]=[C:15]3[C:13]2([CH3:14])[CH2:20][CH2:19][CH:17]([CH3:18])[CH2:16]3)([CH3:26])[O:3][CH2:27]1.[CH3:39][C:40]([CH3:41])=[O:42].[CH3:43][CH:44]1[CH2:45][C:46]2=[CH:47][CH2:48][CH:49]3[CH:50]4[CH2:51][C:52]([CH3:66])=[C:53]([C:54](=[O:55])[CH3:56])[C:57]4([CH3:65])[CH2:58][CH2:59][CH:60]3[C:61]2([CH3:64])[CH2:62][CH2:63]1.[CH3:75][CH2:76][OH:77].[ClH:67].[NH2:68][OH:69].[O:70]1[CH2:71][CH2:72][CH2:73][CH2:74]1.[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1.[cH:78]1[cH:79][cH:80][n:81][cH:82][cH:83]1>>[O:3]=[C:53]1[CH:52]([CH3:66])[CH2:51][CH:50]2[CH:49]3[CH2:48][CH:47]=[C:46]4[CH2:45][CH:44]([CH3:43])[CH2:63][CH2:62][C:61]4([CH3:64])[CH:60]3[CH2:59][CH2:58][C:57]21[CH3:65]Participants
10
Sources & evidence
- ORD record
- ord-ffaa6797af924133b0a40479db5269a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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