Toluene → HCID 57163898, compound
Reaction equation
[CH2:1]([CH:2]=[CH2:3])[CH:4]1[C:5](=[O:58])[CH2:6][CH:7]([OH:57])[CH:8]([CH3:56])[CH:9]([C:43](=[CH:44][CH:45]2[CH2:46][CH:47]([O:53][CH3:54])[CH:48]([O:51][CH3:52])[CH2:49][CH2:50]2)[CH3:55])[O:10][C:11](=[O:42])[CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][N:17]2[C:18](=[O:41])[C:19](=[O:40])[C:20]2([OH:39])[CH:21]([CH3:38])[CH2:22][CH:23]([O:36][CH3:37])[CH:24]([CH:25]([O:33][CH3:34])[CH2:26][CH:27]([CH3:32])[CH2:28][C:29]([CH3:31])=[CH:30]1)[O:35]2.[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[CH2:1]([CH:2]=[CH2:3])[CH:4]1[C:5](=[O:58])[CH:6]=[CH:7][CH:8]([CH3:56])[CH:9]([C:43](=[CH:44][CH:45]2[CH2:46][CH:47]([O:53][CH3:54])[CH:48]([O:51][CH3:52])[CH2:49][CH2:50]2)[CH3:55])[O:10][C:11](=[O:42])[CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][N:17]2[C:18](=[O:41])[C:19](=[O:40])[C:20]2([OH:39])[CH:21]([CH3:38])[CH2:22][CH:23]([O:36][CH3:37])[CH:24]([CH:25]([O:33][CH3:34])[CH2:26][CH:27]([CH3:32])[CH2:28][C:29]([CH3:31])=[CH:30]1)[O:35]2Participants
3
Sources & evidence
- ORD record
- ord-ba2f2b11f89545deba81ea4482566bcf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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