Acetonitrile → HCID 59758990, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH:8][CH2:9][CH2:10][c:11]1[n:12][c:13]([S:16][C:17]([C:18](=[O:19])[OH:20])([CH3:21])[CH3:22])[s:14][cH:15]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:40][C:41]#[N:42].[Cl:30][c:31]1[n:32][cH:33][cH:34][cH:35][c:36]1[N+:37](=[O:38])[O-:39]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[N:8]([CH2:9][CH2:10][c:11]1[n:12][c:13]([S:16][C:17]([C:18](=[O:19])[OH:20])([CH3:21])[CH3:22])[s:14][cH:15]1)[c:31]1[n:32][cH:33][cH:34][cH:35][c:36]1[N+:37](=[O:38])[O-:39]Participants
5
Sources & evidence
- ORD record
- ord-18c4e63802f44f4295f5a849a953c63b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)