Toluene → HCID 21471554, compound
Reaction equation
[CH2:29]([Al+:30][CH2:31][CH:32]([CH3:33])[CH3:34])[CH:35]([CH3:36])[CH3:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[H-:28].[O:1]=[c:2]1[nH:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH2:9][N:10]([CH:13]3[CH2:14][CH2:15][CH:16]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[CH2:17][CH2:18]3)[CH2:11][CH2:12]1)[cH:24][cH:25][cH:26][cH:27]2>>[O:1]=[c:2]1[nH:3][c:4]2[c:5]([n:6]1[CH:7]1[CH2:8][CH2:9][N:10]([CH:13]3[CH2:14][CH2:15][CH:16]([CH:19]=[O:20])[CH2:17][CH2:18]3)[CH2:11][CH2:12]1)[cH:24][cH:25][cH:26][cH:27]2Participants
5
Sources & evidence
- ORD record
- ord-85982e3fe234460584fd0588756c69b4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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