Ethanol → HCID 178505071, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([O:19][CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[cH:26][cH:27]2)[CH2:13][CH2:14]1)[CH2:28][CH:29]([CH2:30][O:31][c:32]1[cH:33][c:34]([NH:46][S:47](=[O:48])(=[O:49])[CH3:50])[c:35]([O:38][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:36][cH:37]1)[OH:51].[CH3:54][CH2:55][OH:56].[Na+:53].[OH-:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]([CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([O:19][CH2:20][C:21](=[O:22])[OH:23])[cH:26][cH:27]2)[CH2:13][CH2:14]1)[CH2:28][CH:29]([CH2:30][O:31][c:32]1[cH:33][c:34]([NH:46][S:47](=[O:48])(=[O:49])[CH3:50])[c:35]([O:38][CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:36][cH:37]1)[OH:51]Participants
5
Sources & evidence
- ORD record
- ord-43f94289853f4d8ab6274907e662fe8b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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