Toluene → HCID 22504167, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([C:9]#[N:10])[NH:11][S:12](=[O:13])(=[O:14])[c:15]1[c:16]([O:24][CH2:25][CH2:26][c:27]2[c:28]3[cH:29][cH:30][cH:31][n:32][c:33]3[cH:34][cH:35][cH:36]2)[cH:17][c:18]([C:21]([NH2:22])=[O:23])[cH:19][cH:20]1)=[O:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:52][CH2:53][Cl:54].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51]>>[O:5]=[C:6]([CH2:7][CH:8]([C:9]#[N:10])[NH:11][S:12](=[O:13])(=[O:14])[c:15]1[c:16]([O:24][CH2:25][CH2:26][c:27]2[c:28]3[cH:29][cH:30][cH:31][n:32][c:33]3[cH:34][cH:35][cH:36]2)[cH:17][c:18]([C:21]([NH2:22])=[O:23])[cH:19][cH:20]1)[OH:37]Participants
5
Sources & evidence
- ORD record
- ord-42608285a5974d84ac5da2ed2e5f4302
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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