Sodium ion → HCID 86634891, compound
Reaction equation
[CH3:31][CH2:32][O:33][C:34]([CH3:35])=[O:36].[Cl:1][c:2]1[c:3]2[n:4]([cH:5][c:6](-[c:10]3[c:11]([Cl:17])[cH:12][c:13]([Cl:16])[cH:14][cH:15]3)[c:7]1[C:8]#[N:9])[c:18]([N:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1)[cH:19][n:20]2.[N-:28]=[N+:29]=[N-:30].[Na+:27].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[c:2]1([N:28]=[N+:29]=[N-:30])[c:3]2[n:4]([cH:5][c:6](-[c:10]3[c:11]([Cl:17])[cH:12][c:13]([Cl:16])[cH:14][cH:15]3)[c:7]1[C:8]#[N:9])[c:18]([N:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1)[cH:19][n:20]2Participants
6
Sources & evidence
- ORD record
- ord-e0446ece16ec4b7b8fa7cf247b5a197d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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