Toluene → HCID 57813606, compound
Reaction equation
[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:30][C:31](=[O:32])[O:33][CH2:34][CH3:35].[n:1]1[cH:2][c:3](-[c:7]2[cH:8][c:9](-[c:17]3[n:18][cH:19][cH:20][cH:21][cH:22]3)[c:10]3[c:11]([n:12][c:13]([NH2:15])[s:14]3)[cH:16]2)[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3](-[c:7]2[cH:8][c:9](-[c:17]3[n:18][cH:19][cH:20][cH:21][cH:22]3)[c:10]3[c:11]([n:12][c:13]([NH:15][C:31](=[O:32])[O:33][CH2:34][CH3:35])[s:14]3)[cH:16]2)[cH:4][cH:5][cH:6]1Participants
5
Sources & evidence
- ORD record
- ord-d9a929381dea442299a633fbc8556c6b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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