Ethanol → HCID 66699641, compound
Reaction equation
[CH3:40][CH2:41][OH:42].[K+:38].[OH-:37].[OH2:39].[OH:1][c:2]1[c:3]([CH3:36])[c:4]([O:5][CH2:6][c:7]2[cH:8][cH:9][c:10]([CH:13]([c:14]3[cH:15][c:16]([C:17]#[N:18])[cH:19][cH:20][cH:21]3)[O:22][CH:23]3[O:24][CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:11][cH:12]2)[cH:29][cH:30][c:31]1[C:32]([CH2:33][CH3:34])=[O:35]>>[OH:1][c:2]1[c:3]([CH3:36])[c:4]([O:5][CH2:6][c:7]2[cH:8][cH:9][c:10]([CH:13]([c:14]3[cH:15][c:16]([C:17](=[O:37])[OH:39])[cH:19][cH:20][cH:21]3)[O:22][CH:23]3[O:24][CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:11][cH:12]2)[cH:29][cH:30][c:31]1[C:32]([CH2:33][CH3:34])=[O:35]Participants
6
Sources & evidence
- ORD record
- ord-5844dca382064835a3c41cacc2d6ef8d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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