Ethanol → HCID 73742872, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][c:9]([Br:48])[c:10]([O:13][CH2:14][CH:15]=[CH:16][C:17]#[C:18][c:19]2[cH:20][cH:21][c:22]([C:25]#[C:26][CH:27]=[CH:28][CH2:29][O:30][c:31]3[c:32]([Br:47])[cH:33][c:34]([CH2:37][CH:38]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[O:44][CH2:45][CH3:46])[cH:35][cH:36]3)[cH:23][cH:24]2)[cH:11][cH:12]1)[O:49][CH2:50][CH3:51])=[O:52].[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:60][CH2:61][OH:62].[Na+:54].[OH-:53]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][c:7]1[cH:8][c:9]([Br:48])[c:10]([O:13][CH2:14][CH:15]=[CH:16][C:17]#[C:18][c:19]2[cH:20][cH:21][c:22]([C:25]#[C:26][CH:27]=[CH:28][CH2:29][O:30][c:31]3[c:32]([Br:47])[cH:33][c:34]([CH2:37][CH:38]([C:39](=[O:40])[OH:41])[O:44][CH2:45][CH3:46])[cH:35][cH:36]3)[cH:23][cH:24]2)[cH:11][cH:12]1)[O:49][CH2:50][CH3:51])=[O:52]Participants
6
Sources & evidence
- ORD record
- ord-d02a88b018544a7c9ae68480b77112fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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