Ethanol → HCID 57640861, compound
Reaction equation
[Br:1][c:2]1[c:3]([O:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[c:4]([C:29](=[O:30])[O:31][CH3:32])[s:5][c:6]1-[c:7]1[cH:8][c:9]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([c:20]3[n:21][cH:22][c:23]([N+:26]([O-:27])=[O:28])[cH:24][cH:25]3)[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:40][CH2:41][OH:42]>>[Br:1][c:2]1[c:3]([O:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[c:4]([C:29](=[O:30])[O:31][CH3:32])[s:5][c:6]1-[c:7]1[cH:8][c:9]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([c:20]3[n:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]3)[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1Participants
4
Sources & evidence
- ORD record
- ord-6f5b917fe109471ca92c837b30bd1dc9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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