Ethanol → HCID 178431321, compound
Reaction equation
[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH3:53][CH2:54][OH:55].[CH:1]1([S:6](=[O:7])(=[O:8])[c:9]2[cH:10][c:11]([C:15]#[C:16][CH2:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][N:27]3[C:28](=[O:44])[O:29][CH:30]([c:32]4[cH:33][c:34]5[c:35]([cH:42][cH:43]4)[O:36][C:37]([CH3:40])([CH3:41])[O:38][CH2:39]5)[CH2:31]3)[cH:12][cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[H:45][H:46].[Pt:56]=[O:57]>>[CH:1]1([S:6](=[O:7])(=[O:8])[c:9]2[cH:10][c:11]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][N:27]3[C:28](=[O:44])[O:29][CH:30]([c:32]4[cH:33][c:34]5[c:35]([cH:42][cH:43]4)[O:36][C:37]([CH3:40])([CH3:41])[O:38][CH2:39]5)[CH2:31]3)[cH:12][cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
6
Sources & evidence
- ORD record
- ord-a86fdafe4f6f4945a24cd0d262601885
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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