Ethanol → HCID 44213032, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[c:11]1[cH:12][c:13]([NH:17][C:18]([NH:19][CH2:20][C:21](=[O:22])[N:23]2[CH:24]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:25][CH:26]([S:35](=[O:36])(=[O:37])[c:38]3[cH:39][c:40]([O:44][CH3:45])[cH:41][cH:42][cH:43]3)[CH:27]2[c:28]2[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]2)=[O:53])[cH:14][cH:15][cH:16]1.[CH3:54][CH2:55][OH:56]>>[O:8]=[C:9]([OH:10])[c:11]1[cH:12][c:13]([NH:17][C:18]([NH:19][CH2:20][C:21](=[O:22])[N:23]2[CH:24]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[CH2:25][CH:26]([S:35](=[O:36])(=[O:37])[c:38]3[cH:39][c:40]([O:44][CH3:45])[cH:41][cH:42][cH:43]3)[CH:27]2[c:28]2[c:29]([F:34])[cH:30][cH:31][cH:32][cH:33]2)=[O:53])[cH:14][cH:15][cH:16]1Participants
3
Sources & evidence
- ORD record
- ord-f502a4ccfd72416c86f65c91215c4372
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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