Acetonitrile → HCID 22346154, compound
Reaction equation
[C:8]([CH3:9])(=[O:10])[O:11][CH:12]1[CH:13]([CH2:33][O:34][C:35]([CH3:36])=[O:37])[O:14][CH:15]([n:21]2[c:22]3[n:23][c:24]([C:31]#[N:32])[n:25][c:26]([Cl:30])[c:27]3[n:28][cH:29]2)[CH:16]1[O:17][C:18]([CH3:19])=[O:20].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:55][C:56]#[N:57].[Cl:38][c:39]1[cH:40][cH:41][c:42]([CH:45]([CH2:46][NH2:47])[c:48]2[cH:49][cH:50][c:51]([Cl:54])[cH:52][cH:53]2)[cH:43][cH:44]1>>[C:8]([CH3:9])(=[O:10])[O:11][CH:12]1[CH:13]([CH2:33][O:34][C:35]([CH3:36])=[O:37])[O:14][CH:15]([n:21]2[c:22]3[n:23][c:24]([C:31]#[N:32])[n:25][c:26]([NH:47][CH2:46][CH:45]([c:42]4[cH:41][cH:40][c:39]([Cl:38])[cH:44][cH:43]4)[c:48]4[cH:49][cH:50][c:51]([Cl:54])[cH:52][cH:53]4)[c:27]3[n:28][cH:29]2)[CH:16]1[O:17][C:18]([CH3:19])=[O:20]Participants
5
Sources & evidence
- ORD record
- ord-9efdf26908284f82a7437e8deb32f22f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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