Ethanol → HCID 178431318, compound
Reaction equation
[CH3:48][CH2:49][OH:50].[CH:7]1([S:12][c:13]2[cH:14][c:15]([CH2:19][CH2:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][N:30]3[C:31](=[O:47])[O:32][CH:33]([c:35]4[cH:36][c:37]5[c:38]([cH:45][cH:46]4)[O:39][C:40]([CH3:43])([CH3:44])[O:41][CH2:42]5)[CH2:34]3)[cH:16][cH:17][cH:18]2)[CH2:8][CH2:9][CH2:10][CH2:11]1.[I+3:1]([O-:2])([O-:3])([O-:4])[O-:5].[Na+:6].[OH2:51]>>[O:2]=[S:12]([CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1)[c:13]1[cH:14][c:15]([CH2:19][CH2:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][N:30]2[C:31](=[O:47])[O:32][CH:33]([c:35]3[cH:36][c:37]4[c:38]([cH:45][cH:46]3)[O:39][C:40]([CH3:43])([CH3:44])[O:41][CH2:42]4)[CH2:34]2)[cH:16][cH:17][cH:18]1Participants
6
Sources & evidence
- ORD record
- ord-3b796ab8b4d3427a806ec25652b39cb4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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