Ethanol → HCID 86758455, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([S:16][c:17]2[cH:18][cH:19][c:20]3[c:21]([n:22]([CH3:35])[c:23]([CH2:25][O:26][c:27]4[cH:28][cH:29][c:30]([CH:31]=[O:32])[cH:33][cH:34]4)[n:24]3)[cH:36]2)[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[CH2:44]1[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1.[CH3:50][CH2:51][OH:52].[S:37]1[C:38](=[O:43])[NH:39][C:40](=[O:42])[CH2:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([S:16][c:17]2[cH:18][cH:19][c:20]3[c:21]([n:22]([CH3:35])[c:23]([CH2:25][O:26][c:27]4[cH:28][cH:29][c:30]([CH:31]=[C:41]5[S:37][C:38](=[O:43])[NH:39][C:40]5=[O:42])[cH:33][cH:34]4)[n:24]3)[cH:36]2)[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]Participants
5
Sources & evidence
- ORD record
- ord-6751668316194138900a2423d86f37af
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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