Acetonitrile → HCID 178429821, compound
Reaction equation
[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([S:11]([NH:12][c:13]2[c:14]([CH3:22])[c:15]([Cl:21])[c:16]([C:19]#[N:20])[cH:17][cH:18]2)(=[O:23])=[O:24])[CH2:7][CH2:8][CH:9]1[OH:10].[CH3:40][C:41]#[N:42].[CH:25]1([N:26]=[C:27]=[N:28][CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1>>[O:2]=[C:3]1[CH:5]2[N:6]([CH2:7][CH2:8][CH:9]2[OH:10])[S:11](=[O:23])(=[O:24])[N:12]1[c:13]1[c:14]([CH3:22])[c:15]([Cl:21])[c:16]([C:19]#[N:20])[cH:17][cH:18]1Participants
4
Sources & evidence
- ORD record
- ord-e3a509d285d64529909316d586d8140f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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