Acetonitrile → HCID 178475561, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([n:16]2[c:17]3[n:18][cH:19][n:20][c:21]([NH:25][CH:26]4[CH2:27][CH2:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]54)[c:22]3[n:23][cH:24]2)[O:7][CH:8]([CH2:14][OH:15])[CH:9]1[O:10][C:11]([CH3:12])=[O:13].[CH2:47]([Cl:48])[Cl:49].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:50][C:51]#[N:52].[Cl:42][S:43](=[O:44])(=[O:45])[NH2:46]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([n:16]2[c:17]3[n:18][cH:19][n:20][c:21]([NH:25][CH:26]4[CH2:27][CH2:28][c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]54)[c:22]3[n:23][cH:24]2)[O:7][CH:8]([CH2:14][O:15][S:43](=[O:44])(=[O:45])[NH2:46])[CH:9]1[O:10][C:11]([CH3:12])=[O:13]Participants
6
Sources & evidence
- ORD record
- ord-38f5dcebeff648e1a9672705784c1dc8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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