Acetonitrile → HCID 14580326, compound
Reaction equation
[CH3:1][c:2]1[n:3][c:4]([CH3:31])[c:5]([C:27](=[O:28])[O:29][CH3:30])[c:6](-[c:12]2[c:13]([O:21][CH2:22][CH2:23][CH2:24][CH2:25][Br:26])[cH:14][cH:15][c:16]([N+:18](=[O:19])[O-:20])[cH:17]2)[c:7]1[C:8](=[O:9])[O:10][CH3:11].[CH3:43][C:44]#[N:45].[O:32]([c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[CH2:39][CH2:40][CH2:41][NH2:42]>>[CH3:1][c:2]1[n:3][c:4]([CH3:31])[c:5]([C:27](=[O:28])[O:29][CH3:30])[c:6](-[c:12]2[c:13]([O:21][CH2:22][CH2:23][CH2:24][CH2:25][NH:42][CH2:41][CH2:40][CH2:39][O:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:14][cH:15][c:16]([N+:18](=[O:19])[O-:20])[cH:17]2)[c:7]1[C:8](=[O:9])[O:10][CH3:11]Participants
4
Sources & evidence
- ORD record
- ord-2e125dc16eed4f169d39695120d50f93
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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