Toluene → HCID 54334327, compound
Reaction equation
[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[c:3](-[n:13]2[c:14]([CH2:26][CH:27]([C:28]#[N:29])[Cl:30])[c:15]([S:21][C:22]([F:23])([F:24])[F:25])[c:16]([C:19]#[N:20])[c:17]2[Cl:18])[c:4]([Cl:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[N:31]12[CH2:32][CH2:33][CH2:34][N:35]=[C:36]1[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2>>[Cl:1][c:2]1[c:3](-[n:13]2[c:14]([CH:26]=[CH:27][C:28]#[N:29])[c:15]([S:21][C:22]([F:23])([F:24])[F:25])[c:16]([C:19]#[N:20])[c:17]2[Cl:18])[c:4]([Cl:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1Participants
4
Sources & evidence
- ORD record
- ord-61d17dd50ea84653ad2c6de9d7a5660f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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