Acetonitrile → HCID 22478729, compound
Reaction equation
[CH3:1][NH:2][c:3]1[s:4][c:5]2[c:6]([n:7]1)[cH:8][c:9]([NH:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]1)[cH:10][cH:11]2.[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:65][C:66]#[N:67].[NH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][c:29]1[NH2:30].[P-:31]([F:32])([F:33])([F:34])([F:35])([F:36])[F:37].[n:38]1([O:39][P+:40]([N:41]([CH3:42])[CH3:43])([N:44]([CH3:45])[CH3:46])[N:47]([CH3:48])[CH3:49])[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[CH3:1][NH:2][c:3]1[s:4][c:5]2[c:6]([n:7]1)[cH:8][c:9]([NH:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([C:18](=[O:20])[NH:30][c:29]3[c:24]([NH2:23])[cH:25][cH:26][cH:27][cH:28]3)[cH:21][cH:22]1)[cH:10][cH:11]2Participants
7
Sources & evidence
- ORD record
- ord-938d2caff13d40e790d0fc3f266f0476
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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