Benzonitrile → HCID 72971740, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][CH2:9][CH:10]3[CH:11]4[CH2:12][C:13]([CH:33]=[O:34])=[C:14]([n:24]5[cH:25][n:26][c:27]6[c:28]5[cH:29][cH:30][cH:31][cH:32]6)[C:15]4([CH3:16])[CH2:17][CH2:18][CH:19]3[C:20]2([CH3:23])[CH2:21][CH2:22]1.[N:35]#[C:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH2:6][C:7]2=[CH:8][CH2:9][CH:10]3[CH:11]4[CH2:12][CH:13]=[C:14]([n:24]5[cH:25][n:26][c:27]6[c:28]5[cH:29][cH:30][cH:31][cH:32]6)[C:15]4([CH3:16])[CH2:17][CH2:18][CH:19]3[C:20]2([CH3:23])[CH2:21][CH2:22]1Participants
3
Sources & evidence
- ORD record
- ord-9de4108f6b784ee2997cc64e5aa31539
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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