Acetonitrile → HCID 178496521, compound
Reaction equation
[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:29][O:30][CH2:31][C:32](=[O:33])[Cl:34].[CH3:35][N:36]([CH3:37])[c:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1.[CH3:44][C:45]#[N:46].[CH:1]1([CH2:4][NH:5][c:6]2[c:7]3[n:8][cH:9][n:10]([CH:15]4[O:16][CH:17]([CH2:20][OH:21])[CH2:18][CH2:19]4)[c:11]3[n:12][cH:13][n:14]2)[CH2:2][CH2:3]1>>[CH:1]1([CH2:4][NH:5][c:6]2[c:7]3[n:8][cH:9][n:10]([CH:15]4[O:16][CH:17]([CH2:20][O:21][C:32]([CH2:31][O:30][CH3:29])=[O:33])[CH2:18][CH2:19]4)[c:11]3[n:12][cH:13][n:14]2)[CH2:2][CH2:3]1Participants
6
Sources & evidence
- ORD record
- ord-7cc5725e28194b9c8ab27c1f791f5188
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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