Toluene → HCID 178492109, compound
Reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][c:9]1[c:10]([C:41]#[N:42])[cH:11][cH:12][c:13]([NH:15][CH:16]([c:17]2[n:18][n:19](-[c:23]3[n:24][cH:25][cH:26][cH:27][n:28]3)[c:20](=[O:22])[nH:21]2)[c:29]2[cH:30][c:31]([O:39][CH3:40])[c:32]3[c:33]([cH:38]2)[CH2:34][O:35][CH2:36][O:37]3)[cH:14]1)([CH3:5])([CH3:6])[CH3:43].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl:44][CH2:45][Cl:46].[F:47][C:48]([F:49])([F:50])[C:51]([OH:52])=[O:53]>>[NH:7]1[CH2:8][c:9]2[c:10]([cH:11][cH:12][c:13]([NH:15][CH:16]([c:17]3[n:18][n:19](-[c:23]4[n:24][cH:25][cH:26][cH:27][n:28]4)[c:20](=[O:22])[nH:21]3)[c:29]3[cH:30][c:31]([O:39][CH3:40])[c:32]4[c:33]([cH:38]3)[CH2:34][O:35][CH2:36][O:37]4)[cH:14]2)[C:41]1=[NH:42]Participants
5
Sources & evidence
- ORD record
- ord-300e6d5e39c44c50b31ad7b26892c18e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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