Acetonitrile → HCID 178491663, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:9]2[CH2:10][CH:11]([C:27](=[O:28])[OH:29])[N:12]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]3)[CH2:13]2)[cH:30][cH:31]1.[CH3:42][C:43]#[N:44].[n:32]1([CH:37]2[CH2:38][NH:39][CH2:40][CH2:41]2)[cH:33][n:34][cH:35][cH:36]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][S:8][CH:9]2[CH2:10][CH:11]([C:27](=[O:28])[N:39]3[CH2:38][CH:37]([n:32]4[cH:33][n:34][cH:35][cH:36]4)[CH2:41][CH2:40]3)[N:12]([C:14](=[O:15])[O:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]3)[CH2:13]2)[cH:30][cH:31]1Participants
4
Sources & evidence
- ORD record
- ord-d91519f3354242448e391281dccc58bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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