Acetonitrile → HCID 178496055, compound
Reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][O:41][CH2:42][CH2:43][NH:44][S:45](=[O:46])(=[O:47])[O:48][N:49]1[C:50](=[O:51])[CH2:52][CH2:53][C:54]1=[O:55].[CH3:56][C:57]#[N:58].[O:1]1[CH:2]([O:7][NH:8][C:9]([CH2:10][C:11]2([c:20]3[s:21][c:22](-[c:25]4[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]4)[cH:23][cH:24]3)[CH2:12][CH2:13][NH:14][CH2:15][CH2:16][S:17]2(=[O:18])=[O:19])=[O:32])[CH2:3][CH2:4][CH2:5][CH2:6]1>>[O:1]1[CH:2]([O:7][NH:8][C:9]([CH2:10][C:11]2([c:20]3[s:21][c:22](-[c:25]4[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]4)[cH:23][cH:24]3)[CH2:12][CH2:13][N:14]([S:45]([NH:44][CH2:43][CH2:42][O:41][CH3:40])(=[O:46])=[O:47])[CH2:15][CH2:16][S:17]2(=[O:18])=[O:19])=[O:32])[CH2:3][CH2:4][CH2:5][CH2:6]1Participants
5
Sources & evidence
- ORD record
- ord-b1890f5664f24a26a114e6e2e9d23882
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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