Benzene → HCID 9824113, compound
Reaction equation
[CH2:17]([P:18]([CH2:19][CH2:20][CH2:21][CH3:22])[CH2:23][CH2:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH3:29].[CH3:30][O:31][C:32]([CH:33]([C:34](=[O:35])[O:36][CH3:37])[CH2:38][c:39]1[cH:40][cH:41][c:42]([OH:45])[cH:43][cH:44]1)=[O:46].[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[n:12]([CH2:14][CH2:15][OH:16])[c:13]12.[cH:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1>>[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6]3[cH:7][cH:8][cH:9][cH:10][c:11]3[n:12]([CH2:14][CH2:15][O:16][c:42]3[cH:41][cH:40][c:39]([CH2:38][CH:33]([C:32]([O:31][CH3:30])=[O:46])[C:34](=[O:35])[O:36][CH3:37])[cH:44][cH:43]3)[c:13]12Participants
6
Sources & evidence
- ORD record
- ord-b7525429d20447098b1ca21d214620b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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