Toluene → HCID 10209327, compound
Reaction equation
[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[CH3:7][CH:8]([CH3:9])[c:10]1[c:11]([CH2:22][C:23](=[O:24])[OH:25])[c:12]([CH:19]([CH3:20])[CH3:21])[cH:13][c:14]([CH:16]([CH3:17])[CH3:18])[cH:15]1.[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:58][CH2:59][Cl:60].[S:31]([NH2:32])([O:33][c:34]1[c:35]([CH:46]([CH3:47])[CH3:48])[cH:36][c:37]([N+:43](=[O:44])[O-:45])[cH:38][c:39]1[CH:40]([CH3:41])[CH3:42])(=[O:49])=[O:50]>>[CH3:7][CH:8]([CH3:9])[c:10]1[c:11]([CH2:22][C:23](=[O:24])[NH:32][S:31]([O:33][c:34]2[c:35]([CH:46]([CH3:47])[CH3:48])[cH:36][c:37]([N+:43](=[O:44])[O-:45])[cH:38][c:39]2[CH:40]([CH3:41])[CH3:42])(=[O:49])=[O:50])[c:12]([CH:19]([CH3:20])[CH3:21])[cH:13][c:14]([CH:16]([CH3:17])[CH3:18])[cH:15]1Participants
8
Sources & evidence
- ORD record
- ord-27dcb97c4b1946d8b77e090c2c782e62
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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