Ethanol → HCID 178505068, 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]([C:19](=[O:20])[NH:21][CH:22]([CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:35][cH:36]2)[CH2:13][CH2:14]1)[CH2:37][CH:38]([CH2:39][O:40][c:41]1[cH:42][c:43]([NH:55][S:56](=[O:57])(=[O:58])[CH3:59])[c:44]([O:47][CH2:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:45][cH:46]1)[OH:60].[CH3:63][CH2:64][OH:65].[Na+:62].[OH-:61]>>[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]([C:19](=[O:20])[NH:21][CH:22]([CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[C:30](=[O:31])[OH:32])[cH:35][cH:36]2)[CH2:13][CH2:14]1)[CH2:37][CH:38]([CH2:39][O:40][c:41]1[cH:42][c:43]([NH:55][S:56](=[O:57])(=[O:58])[CH3:59])[c:44]([O:47][CH2:48][c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:45][cH:46]1)[OH:60]Participants
5
Sources & evidence
- ORD record
- ord-fbe8972d64d74a679b7dde67fb82de23
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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