Toluene → HCID 53968692, compound
Reaction equation
[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:7]([CH3:8])([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].[S:26]([NH2:27])([O:28][c:29]1[c:30]([CH:46]([CH3:47])[CH3:48])[cH:31][c:32]([O:38][Si:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[CH3:45])[cH:33][c:34]1[CH:35]([CH3:36])[CH3:37])(=[O:49])=[O:50]>>[CH:7]([CH3:8])([CH3:9])[c:10]1[c:11]([CH2:22][C:23](=[O:24])[NH:27][S:26]([O:28][c:29]2[c:30]([CH:46]([CH3:47])[CH3:48])[cH:31][c:32]([O:38][Si:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[CH3:45])[cH:33][c:34]2[CH:35]([CH3:36])[CH3:37])(=[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
7
Sources & evidence
- ORD record
- ord-313059e9b47a4d1ba91ff346b663cc59
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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