Toluene → HCID 22648343, compound
Reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[c:21]1[c:22]([OH:31])[cH:23][cH:24][c:25]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:26]1.[C:7](#[N:8])[c:9]1[cH:10][cH:11][c:12]([CH:13]=[O:14])[cH:15][cH:16]1.[CH2:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH2:1]1[CH2:2][CH2:3][N:4]([CH:13]([c:12]2[cH:11][cH:10][c:9]([C:7]#[N:8])[cH:16][cH:15]2)[c:23]2[c:22]([OH:31])[c:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:26][c:25]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:24]2)[CH2:5][CH2:6]1Participants
5
Sources & evidence
- ORD record
- ord-3b0f10b242324ea5aafad14cb2c0bf7a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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