Ethanol → HCID 58625057, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[c:17]1[cH:18][c:19]([O:23][c:24]2[cH:25][c:26]([CH2:31][NH:32][CH2:33][CH2:34][CH3:35])[c:27]([NH2:30])[cH:28][cH:29]2)[cH:20][cH:21][cH:22]1)=[O:36].[CH3:40][CH2:41][OH:42].[N:37]#[C:38][Br:39]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[c:17]1[cH:18][c:19]([O:23][c:24]2[cH:25][c:26]3[c:27]([cH:28][cH:29]2)[N:30]=[C:38]([NH2:37])[N:32]([CH2:33][CH2:34][CH3:35])[CH2:31]3)[cH:20][cH:21][cH:22]1)=[O:36]Participants
4
Sources & evidence
- ORD record
- ord-8b8177d70fd44a878f135998bf81e7b3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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