Toluene → HCID 13281520, compound
Reaction equation
[CH2:40]([C:41]([CH3:42])=[O:43])[CH3:44].[CH3:24][CH2:25][NH2:26].[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[Cl:1][C:2](=[O:3])[CH2:4][NH:5][c:6]1[c:7]([C:22]#[N:23])[cH:8][n:9][n:10]1-[c:11]1[c:12]([Cl:21])[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]1>>[C:2](=[O:3])([CH2:4][NH:5][c:6]1[c:7]([C:22]#[N:23])[cH:8][n:9][n:10]1-[c:11]1[c:12]([Cl:21])[cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]1)[NH:26][CH2:25][CH3:24]Participants
6
Sources & evidence
- ORD record
- ord-274ce198daa746c7afe39a3f983430a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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