Toluene → HCID 178472200, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][CH:4]([CH2:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[c:11]1[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]1.[Cl:18][c:19]1[cH:20][c:21]([CH:25]([CH3:26])[OH:27])[cH:22][cH:23][cH:24]1.[N:54]([C:55]([O:56][CH2:57][CH3:58])=[O:59])=[N:60][C:61]([O:62][CH2:63][CH3:64])=[O:65].[O:66]1[CH2:67][CH2:68][CH2:69][CH2:70]1.[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1.[c:47]1([CH3:48])[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[CH2:1]([CH3:2])[O:3][CH:4]([CH2:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[c:11]1[cH:12][cH:13][c:14]([O:17][CH:25]([c:21]2[cH:20][c:19]([Cl:18])[cH:24][cH:23][cH:22]2)[CH3:26])[cH:15][cH:16]1Participants
7
Sources & evidence
- ORD record
- ord-d9ce5acc7d064f859d524447343c1797
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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