Toluene → HCID 178467867, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][CH:4]([CH2:5][C:6](=[O:7])[O:8][CH3:9])[c:10]1[cH:11][cH:12][c:13]([OH:16])[cH:14][cH:15]1.[CH3:17][C:18]1([CH3:28])[CH2:19][CH:20]([OH:27])[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]21.[N:55]([C:56]([O:57][CH2:58][CH3:59])=[O:60])=[N:61][C:62]([O:63][CH2:64][CH3:65])=[O:66].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1.[c:48]1([CH3:49])[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH2:1]([CH3:2])[O:3][CH:4]([CH2:5][C:6](=[O:7])[O:8][CH3:9])[c:10]1[cH:11][cH:12][c:13]([O:16][CH:20]2[CH2:19][C:18]([CH3:17])([CH3:28])[c:26]3[c:21]2[cH:22][cH:23][cH:24][cH:25]3)[cH:14][cH:15]1Participants
7
Sources & evidence
- ORD record
- ord-ec974fe9bdfb4c3b8c362fcd3f385a3b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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