Ethanol → HCID 178511876, compound
Reaction equation
[CH3:31][CH2:32][OH:33].[IH:21].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][c:14]3[cH:15][c:16]([NH2:20])[cH:17][cH:18][c:19]32)[CH2:5][CH2:6]1.[OH2:34].[s:22]1[c:23]([C:27](=[NH:28])[S:29][CH3:30])[cH:24][cH:25][cH:26]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][c:14]3[cH:15][c:16]([NH:20][C:27]([c:23]4[s:22][cH:26][cH:25][cH:24]4)=[NH:28])[cH:17][cH:18][c:19]32)[CH2:5][CH2:6]1Participants
8
Sources & evidence
- ORD record
- ord-fbe05d73e4be43dda84421ab4706cdd2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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