Ethanol → HCID 58713069, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][CH2:17][N:18]([CH2:19][CH2:20][CH3:21])[S:22](=[O:23])(=[O:24])[c:25]2[c:26]([CH3:35])[c:27]3[c:28]([s:29]2)[cH:30][cH:31][c:32]([Cl:34])[cH:33]3)[cH:13][cH:14]1)=[O:36].[CH3:39][CH2:40][OH:41].[Na+:38].[OH-:37].[OH2:42]>>[O:3]=[C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][CH2:16][CH2:17][N:18]([CH2:19][CH2:20][CH3:21])[S:22](=[O:23])(=[O:24])[c:25]2[c:26]([CH3:35])[c:27]3[c:28]([s:29]2)[cH:30][cH:31][c:32]([Cl:34])[cH:33]3)[cH:13][cH:14]1)[OH:36]Participants
6
Sources & evidence
- ORD record
- ord-1a2f9f6d14484505b9fc43a86058713c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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