Toluene → HCID 59364066, compound
Reaction equation
[CH2:38]([P:39]([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH3:50].[CH3:15][c:16]1[c:17](-[c:30]2[cH:31][c:32]([CH2:36][OH:37])[cH:33][cH:34][cH:35]2)[c:18]([CH3:29])[cH:19][c:20]([O:22][CH2:23][C:24]2([CH3:28])[CH2:25][O:26][CH2:27]2)[cH:21]1.[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[CH3:76][CH2:77][CH2:78][CH2:79][CH2:80][CH3:81].[N:51]([C:52]([N:53]1[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1)=[O:59])=[N:60][C:61]([N:62]1[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1)=[O:68].[OH:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([C:11](=[O:12])[O:13][CH3:14])[CH2:10]2)[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([C:11](=[O:12])[O:13][CH3:14])[CH2:10]2)[cH:6][cH:7]1)[CH2:36][c:32]1[cH:31][c:30](-[c:17]2[c:16]([CH3:15])[cH:21][c:20]([O:22][CH2:23][C:24]3([CH3:28])[CH2:25][O:26][CH2:27]3)[cH:19][c:18]2[CH3:29])[cH:35][cH:34][cH:33]1Participants
7
Sources & evidence
- ORD record
- ord-cb0e278d66884c79bab0d7688ba94ea5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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