Acetonitrile → HCID 23591843, compound
Reaction equation
[CH3:46][C:47]#[N:48].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cl:35][c:36]1[cH:37][cH:38][c:39]([N+:43](=[O:44])[O-:45])[c:40]([NH2:42])[n:41]1.[NH2:1][CH2:2][CH2:3][NH:4][c:5]1[cH:6][c:7](-[c:18]2[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[c:8]([CH2:11][N:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[cH:9][cH:10]1>>[NH:1]([CH2:2][CH2:3][NH:4][c:5]1[cH:6][c:7](-[c:18]2[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[c:8]([CH2:11][N:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[cH:9][cH:10]1)[c:36]1[cH:37][cH:38][c:39]([N+:43](=[O:44])[O-:45])[c:40]([NH2:42])[n:41]1Participants
5
Sources & evidence
- ORD record
- ord-ea6ab3a82b1f4e73a3f3bc9f20c4cacb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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