Ethanol → HCID 9808979, 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:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:25][CH:26]([S:34](=[O:35])(=[O:36])[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[CH:27]2[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)=[O:50])[cH:14][cH:15][cH:16]1.[CH3:51][CH2:52][OH:53]>>[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:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:25][CH:26]([S:34](=[O:35])(=[O:36])[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[CH:27]2[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)=[O:50])[cH:14][cH:15][cH:16]1Participants
3
Sources & evidence
- ORD record
- ord-4bc161c12f904090a85a5d767df83493
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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