Ethanol → HCID 69782329, compound
Reaction equation
[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][CH2:45][OH:46].[NH2:1][c:2]1[n:3][c:4]([S:16][CH3:17])[c:5]([C:14]#[N:15])[c:6](-[c:8]2[o:9][c:10]([Br:13])[cH:11][cH:12]2)[n:7]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[cH:18]1[cH:19][cH:20][c:21]([As:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36]1>>[NH2:1][c:2]1[n:3][c:4]([S:16][CH3:17])[c:5]([C:14]#[N:15])[c:6](-[c:8]2[o:9][c:10]([C:48]([O:46][CH2:45][CH3:44])=[O:47])[cH:11][cH:12]2)[n:7]1Participants
6
Sources & evidence
- ORD record
- ord-fdd5038c94f647cdb801327edb3c6f21
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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