Toluene → HCID 10151077, compound
Reaction equation
[CH2:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7](-[c:18]2[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[c:8](-[c:10]2[c:11]([Cl:17])[cH:12][c:13]([Cl:16])[cH:14][cH:15]2)[n:9]1>>[c:2]1([N:28]2[CH2:27][CH2:26][CH2:25][CH2:30][CH2:29]2)[c:3]([C:4]#[N:5])[cH:6][c:7](-[c:18]2[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[c:8](-[c:10]2[c:11]([Cl:17])[cH:12][c:13]([Cl:16])[cH:14][cH:15]2)[n:9]1Participants
4
Sources & evidence
- ORD record
- ord-f2028c99059b4b3294eb67f2a2085cfe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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