Toluene → HCID 44816299, compound
Reaction equation
[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][c:14]([N:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[c:15]3[c:16]([n:17]2)[CH2:18][N:19]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:20]3)[cH:10][cH:11]1)=[O:34].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH:42]([OH:43])([CH3:44])[CH3:45].[Cl:53][CH2:54][Cl:55].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41]>>[CH2:1]([CH3:2])[NH:3][C:4]([NH:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][c:14]([N:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[c:15]3[c:16]([n:17]2)[CH2:18][NH:19][CH2:20]3)[cH:10][cH:11]1)=[O:34]Participants
6
Sources & evidence
- ORD record
- ord-8c8e989834114f28a08b1f79856f27fa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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