Acetonitrile → HCID 178463706, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9]([N:10]([CH2:11][CH3:12])[CH2:13][c:14]1[c:15](-[c:24]2[cH:25][c:26]([CH2:32][C:33](=[O:34])[OH:35])[cH:27][cH:28][c:29]2[O:30][CH3:31])[cH:16][cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]1)=[O:36].[CH2:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[O:44][C:45](=[O:46])[CH:47]1[O:48][CH:49]([OH:56])[CH:50]([OH:55])[CH:51]([OH:54])[CH:52]1[OH:53].[CH3:81][N+:82]1([O-:83])[CH2:84][CH2:85][O:86][CH2:87][CH2:88]1.[CH3:89][C:90]#[N:91].[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:64]1([O:65][C:66]([N:67]([CH3:68])[CH3:69])=[N+:70]([CH3:71])[CH3:72])[c:73]2[n:74][cH:75][cH:76][cH:77][c:78]2[n:79][n:80]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9]([N:10]([CH2:11][CH3:12])[CH2:13][c:14]1[c:15](-[c:24]2[cH:25][c:26]([CH2:32][C:33]([O:34][CH:49]3[O:48][CH:47]([C:45]([O:44][CH2:37][c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)=[O:46])[CH:52]([OH:53])[CH:51]([OH:54])[CH:50]3[OH:55])=[O:35])[cH:27][cH:28][c:29]2[O:30][CH3:31])[cH:16][cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]1)=[O:36]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-61baa5f28df74e3db701b54306520401
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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