Toluene → HCID 178438141, compound
Reaction equation
[CH3:21][O:22][C:23](=[CH2:24])[CH3:25].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:50][CH2:51][Cl:52].[c:1]1([CH:7]([CH:8]([CH:9]=[CH2:10])[OH:11])[NH:12][C:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:26]1([CH3:27])[cH:28][cH:29][c:30]([S:31]([O-:32])(=[O:33])=[O:34])[cH:35][cH:36]1.[nH+:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[c:1]1([CH:7]2[CH:8]([CH:9]=[CH2:10])[O:11][C:23]([CH3:24])([CH3:25])[N:12]2[C:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-fc7940629b414e76a5dbd47e1804acdc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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