Benzene → HCID 178458449, compound
Reaction equation
[CH2:1]1[CH2:2][O:3][CH:4]=[CH:5][CH2:6]1.[O:18]1[CH:19]2[CH:20]1[C:21](=[O:42])[CH:22]=[C:23]1[CH:24]=[CH:25][CH:26]3[CH:27]4[CH2:28][CH2:29][CH:30]([CH:31]([CH2:32][OH:33])[CH3:34])[C:35]4([CH3:41])[CH2:36][CH2:37][CH:38]3[C:39]21[CH3:40].[c:7]1([CH3:8])[cH:9][cH:10][c:11]([S:12]([OH:13])(=[O:14])=[O:15])[cH:16][cH:17]1.[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH2:1]1[CH2:2][O:3][CH:4]([O:33][CH2:32][CH:31]([CH:30]2[CH2:29][CH2:28][CH:27]3[CH:26]4[CH:25]=[CH:24][C:23]5=[CH:22][C:21](=[O:42])[CH:20]6[O:18][CH:19]6[C:39]5([CH3:40])[CH:38]4[CH2:37][CH2:36][C:35]32[CH3:41])[CH3:34])[CH2:5][CH2:6]1Participants
5
Sources & evidence
- ORD record
- ord-5401c45d0fed41209a55d49b3790eb76
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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