Ethanol → HCID 21911670, compound
Reaction equation
[CH3:19][c:20]1[s:21][c:22]2[c:23]([n:24]1)[cH:25][c:26]([O:29][CH2:30][CH:31]([CH2:32][N:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1)[OH:39])[cH:27][cH:28]2.[CH3:49][CH2:50][OH:51].[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][CH:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[c:12]1[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]1>>[CH2:2]([C:3](=[O:4])[NH:5][CH:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[c:12]1[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]1)[N:36]1[CH2:35][CH2:34][N:33]([CH2:32][CH:31]([CH2:30][O:29][c:26]2[cH:25][c:23]3[c:22]([s:21][c:20]([CH3:19])[n:24]3)[cH:28][cH:27]2)[OH:39])[CH2:38][CH2:37]1Participants
5
Sources & evidence
- ORD record
- ord-86e10de872f849e3958e0f21d74dedce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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