Benzene → HCID 178464114, compound
Reaction equation
[Br:1][CH:2]1[CH:3]([OH:33])[CH2:4][CH:5]2[CH2:6][CH2:7][CH:8]3[CH:9]4[CH2:10][CH2:11][CH:12]([C:13]([CH3:14])=[O:15])[C:16]4([CH3:32])[CH2:17][CH:18]([O:23][C:24]([CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30])=[O:31])[CH:19]3[C:20]2([CH3:22])[CH2:21]1.[CH3:58][OH:59].[O:34]1[CH:35]=[CH:36][CH2:37][CH2:38][CH2:39]1.[OH2:40].[c:41]1([CH3:42])[cH:43][cH:44][c:45]([S:46]([OH:47])(=[O:48])=[O:49])[cH:50][cH:51]1.[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH:2]1=[CH:21][C:20]2([CH3:22])[CH:5]([CH2:4][CH:3]1[OH:33])[CH2:6][CH2:7][CH:8]1[CH:9]3[CH2:10][CH2:11][CH:12]([C:13]([CH3:14])=[O:15])[C:16]3([CH3:32])[CH2:17][CH:18]([O:23][C:24]([CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30])=[O:31])[CH:19]12Participants
7
Sources & evidence
- ORD record
- ord-141fb4f447f641c8bbd187c2e15eb171
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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