Ethanol → HCID 12966846, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH2:36][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][c:26](-[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:27][cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)=[O:44].[CH3:47][CH2:48][OH:49].[Na+:46].[OH-:45]>>[O:3]=[C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH2:36][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][c:26](-[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:27][cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)[OH:44]Participants
5
Sources & evidence
- ORD record
- ord-6900889cad2c40d3b9a3414721ee1f16
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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