Acetonitrile → HCID 18437859, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[c:6](-[c:28]2[c:29]([CH3:34])[cH:30][cH:31][cH:32][cH:33]2)[n:7][c:8]([Cl:27])[c:9]1[CH2:10][N:11]([CH2:12][CH2:13][CH:14]([CH3:15])[CH3:16])[CH2:17][c:18]1[cH:19][c:20]2[cH:21][cH:22][nH:23][c:24]2[cH:25][cH:26]1.[CH3:43][C:44]#[N:45].[Cl:35][N:36]1[C:37](=[O:38])[CH2:39][CH2:40][C:41]1=[O:42]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[c:6](-[c:28]2[c:29]([CH3:34])[cH:30][cH:31][cH:32][cH:33]2)[n:7][c:8]([Cl:27])[c:9]1[CH2:10][N:11]([CH2:12][CH2:13][CH:14]([CH3:15])[CH3:16])[CH2:17][c:18]1[cH:19][c:20]2[c:21]([Cl:35])[cH:22][nH:23][c:24]2[cH:25][cH:26]1Participants
4
Sources & evidence
- ORD record
- ord-f9696e5e12414f47b92368a0f3416397
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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