Acetonitrile → HCID 178460833, compound
Reaction equation
[CH3:40][C:41]#[N:42].[CH3:5][CH:6]1[CH2:7][O:8][CH2:9][CH2:10][N:11]1[c:12]1[n:13][c:14](-[c:24]2[cH:25][cH:26][c:27]([NH:30][C:31](=[O:32])[NH:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:28][cH:29]2)[n:15][c:16]([CH2:18][O:19][S:20]([CH3:21])(=[O:22])=[O:23])[cH:17]1.[CH:1]([CH3:2])([CH3:3])[SH:4].[N:43]12[CH2:44][CH2:45][CH2:46][N:47]=[C:48]1[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]2>>[CH:1]([CH3:2])([CH3:3])[S:4][CH2:18][c:16]1[n:15][c:14](-[c:24]2[cH:25][cH:26][c:27]([NH:30][C:31](=[O:32])[NH:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:28][cH:29]2)[n:13][c:12]([N:11]2[CH:6]([CH3:5])[CH2:7][O:8][CH2:9][CH2:10]2)[cH:17]1Participants
5
Sources & evidence
- ORD record
- ord-afb95da991d14ecb86db34a7adde7b95
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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