Ethanol → HCID 23537392, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[cH:8][cH:9][n:10]2.[CH3:45][CH2:46][OH:47].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[F:11][c:12]1[cH:13][cH:14][c:15](-[c:18]2[n:19][n:20]([C:26]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:21][c:22]2[B:23]([OH:24])[OH:25])[cH:16][cH:17]1.[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53]>>[c:2]1(-[c:22]2[c:18](-[c:15]3[cH:14][cH:13][c:12]([F:11])[cH:17][cH:16]3)[n:19][n:20]([C:26]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[cH:21]2)[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[cH:8][cH:9][n:10]2Participants
8
Sources & evidence
- ORD record
- ord-194b0a765f844f159bbf7ebd1083a2ef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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