Ethanol → HCID 22628017, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH:12]([C:15](=[O:16])[N:17]2[CH:18]([C:37](=[O:38])[O:39][CH2:40][CH3:41])[CH2:19][N:20]([S:23](=[O:24])(=[O:25])[c:26]3[cH:27][c:28]4[cH:29][cH:30][c:31]([Cl:36])[cH:32][c:33]4[cH:34][cH:35]3)[CH2:21][CH2:22]2)[CH2:13][CH2:14]1.[CH3:44][CH2:45][OH:46].[Na+:43].[OH-:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH:12]([C:15](=[O:16])[N:17]2[CH:18]([C:37](=[O:38])[OH:39])[CH2:19][N:20]([S:23](=[O:24])(=[O:25])[c:26]3[cH:27][c:28]4[cH:29][cH:30][c:31]([Cl:36])[cH:32][c:33]4[cH:34][cH:35]3)[CH2:21][CH2:22]2)[CH2:13][CH2:14]1Participants
5
Sources & evidence
- ORD record
- ord-8aa93af89450473a9ad52f3c2699f447
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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