Ethanol → HCID 58529618, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:15])[c:16]2[cH:17][c:18]([Br:26])[c:19]3[c:20]([NH2:25])[n:21][cH:22][n:23][n:24]23)[CH2:12][CH2:13]1.[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[n:34]1[n:35][c:36]2[cH:37][c:38]([B:43]3[O:44][C:45]([CH3:46])([CH3:47])[C:48]([CH3:49])([CH3:50])[O:51]3)[cH:39][cH:40][c:41]2[cH:42]1.[CH2:58]([OH:59])[CH3:60].[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:15])[c:16]2[cH:17][c:18](-[c:38]3[cH:37][c:36]4[n:35][n:34]([CH2:27][c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[cH:42][c:41]4[cH:40][cH:39]3)[c:19]3[c:20]([NH2:25])[n:21][cH:22][n:23][n:24]23)[CH2:12][CH2:13]1Participants
7
Sources & evidence
- ORD record
- ord-fe05f788cc014409b229935a28009e0c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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