Toluene → HCID 13768044, compound
Reaction equation
[C:32]([CH2:33][CH3:34])(=[O:35])[Cl:36].[CH3:1][NH:2][C:3](=[O:4])[N:5]1[CH:6]([c:10]2[c:11]([O:16][CH2:17][CH2:18][N:19]3[CH2:20][CH2:21][N:22]([c:25]4[cH:26][c:27]([F:31])[cH:28][cH:29][cH:30]4)[CH2:23][CH2:24]3)[cH:12][cH:13][cH:14][cH:15]2)[S:7][CH2:8][CH2:9]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[CH3:1][N:2]([C:3](=[O:4])[N:5]1[CH:6]([c:10]2[c:11]([O:16][CH2:17][CH2:18][N:19]3[CH2:20][CH2:21][N:22]([c:25]4[cH:26][c:27]([F:31])[cH:28][cH:29][cH:30]4)[CH2:23][CH2:24]3)[cH:12][cH:13][cH:14][cH:15]2)[S:7][CH2:8][CH2:9]1)[C:32]([CH2:33][CH3:34])=[O:35]Participants
5
Sources & evidence
- ORD record
- ord-52f015c368fd4e85b4193e5b76283205
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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