Acetonitrile → HCID 178428874, compound
Reaction equation
[CH2:1]1[CH2:2][CH2:3][CH:4]([N:5]=[C:6]=[N:7][CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[CH2:14][CH2:15]1.[CH3:16][c:17]1[c:18]([C:19](=[O:20])[OH:21])[cH:22][cH:23][c:24]([S:36](=[O:37])(=[O:38])[CH3:39])[c:25]1-[c:26]1[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]1.[CH3:40][C:41]([CH3:42])([CH3:43])[n:44]1[n:45][cH:46][cH:47][c:48]1[OH:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][C:58]([CH3:59])([OH:60])[C:61]#[N:62].[CH3:63][C:64]#[N:65]>>[CH3:16][c:17]1[c:18]([C:19](=[O:20])[c:47]2[cH:46][n:45][n:44]([C:41]([CH3:40])([CH3:42])[CH3:43])[c:48]2[OH:49])[cH:22][cH:23][c:24]([S:36](=[O:37])(=[O:38])[CH3:39])[c:25]1-[c:26]1[cH:27][cH:28][c:29]([S:32](=[O:33])(=[O:34])[CH3:35])[cH:30][cH:31]1Participants
7
Sources & evidence
- ORD record
- ord-11efceea898a4f1ab1812515e95ab09a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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