Ethanol → HCID 20150140, compound
Reaction equation
[CH3:27][CH2:28][OH:29].[CH:1](=[O:2])[N:3]1[CH2:4][CH2:5][N:6]([c:9]2[n:10][c:11]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[c:12]3[c:13]([n:14]2)[c:15]([S:19][CH3:20])[n:16][cH:17][n:18]3)[CH2:7][CH2:8]1>>[NH:3]1[CH2:4][CH2:5][N:6]([c:9]2[n:10][c:11]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[c:12]3[c:13]([n:14]2)[c:15]([S:19][CH3:20])[n:16][cH:17][n:18]3)[CH2:7][CH2:8]1Participants
3
Sources & evidence
- ORD record
- ord-bda0114daa564359b0a5a2bb1593fb1f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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