Acetonitrile → HCID 18464726, compound
Reaction equation
[CH2:39]([CH3:40])[O:41][CH2:42][CH2:43][n:44]1[c:45]([N:53]2[CH2:54][CH2:55][NH:56][CH2:57][CH2:58][CH2:59]2)[n:46][c:47]2[c:48]1[cH:49][cH:50][cH:51][cH:52]2.[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:30])[C:9]([CH2:12][CH2:13][O:14][S:15]([CH3:16])(=[O:17])=[O:18])([CH2:19][c:20]3[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]3)[CH2:10][CH2:11]2)[cH:31][c:32]([O:36][CH3:37])[c:33]1[O:34][CH3:35].[CH3:69][C:70]#[N:71].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[Cl:72][CH2:73][Cl:74].[IH:38]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]2[C:8](=[O:30])[C:9]([CH2:12][CH2:13][N:56]3[CH2:55][CH2:54][N:53]([c:45]4[n:44]([CH2:43][CH2:42][O:41][CH2:39][CH3:40])[c:48]5[c:47]([n:46]4)[cH:52][cH:51][cH:50][cH:49]5)[CH2:59][CH2:58][CH2:57]3)([CH2:19][c:20]3[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]3)[CH2:10][CH2:11]2)[cH:31][c:32]([O:36][CH3:37])[c:33]1[O:34][CH3:35]Participants
7
Sources & evidence
- ORD record
- ord-0965805277a94537b48189f1ee9eb233
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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