Acetonitrile → HCID 178472925, compound
Reaction equation
[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[NH:7][c:8]1[n:9][c:10]([OH:20])[c:11]2[c:12]([n:13]1)[n:14][cH:15][c:16]([C:18]#[CH:19])[cH:17]2.[CH2:21]([CH3:22])[O:23][C:24]([CH2:25][NH:26][S:27](=[O:28])(=[O:29])[c:30]1[s:31][c:32]([Br:35])[cH:33][cH:34]1)=[O:36].[CH3:57][C:58]#[N:59].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[I-:56].[Pd:60]([Cl:61])[Cl:62].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[NH:7][c:8]1[n:9][c:10]([OH:20])[c:11]2[c:12]([n:13]1)[n:14][cH:15][c:16]([C:18]#[C:19][c:32]1[s:31][c:30]([S:27]([NH:26][CH2:25][C:24]([O:23][CH2:21][CH3:22])=[O:36])(=[O:28])=[O:29])[cH:34][cH:33]1)[cH:17]2Participants
8
Sources & evidence
- ORD record
- ord-f2bfdfdc78e443209e738dc10164949c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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