Ethanol → HCID 178429812, compound
Reaction equation
[CH2:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][OH:46].[CH:8]1([NH:11][c:12]2[c:13]([CH3:37])[c:14]([N:23]3[CH2:24][CH2:25][N:26]([c:29]4[c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35][n:36]4)[CH2:27][CH2:28]3)[n:15][c:16]3[n:17]2[n:18][cH:19][c:20]3[CH:21]=[O:22])[CH2:9][CH2:10]1.[OH2:47].[S:1]1[C:2](=[O:7])[NH:3][C:4](=[O:6])[CH2:5]1>>[S:1]1[C:2](=[O:7])[NH:3][C:4](=[O:6])[C:5]1=[CH:21][c:20]1[c:16]2[n:15][c:14]([N:23]3[CH2:24][CH2:25][N:26]([c:29]4[c:30]([C:31]#[N:32])[cH:33][cH:34][cH:35][n:36]4)[CH2:27][CH2:28]3)[c:13]([CH3:37])[c:12]([NH:11][CH:8]3[CH2:9][CH2:10]3)[n:17]2[n:18][cH:19]1Participants
6
Sources & evidence
- ORD record
- ord-c50cda83968144e3a6950c0b1a4473df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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