Acetonitrile → HCID 18464469, compound
Reaction equation
[CH2:35]([CH3:36])[O:37][CH2:38][CH2:39][n:40]1[c:41]([N:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54][CH2:55]2)[n:42][c:43]2[c:44]1[cH:45][cH:46][cH:47][cH:48]2.[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][O:15][S:16]([CH3:17])(=[O:18])=[O:19])([c:20]3[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:28][c:29]([O:33][CH3:34])[c:30]1[O:31][CH3:32].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[CH3:71][C:72]#[N:73].[CH:56]([N:57]([CH2:58][CH3:59])[CH:60]([CH3:61])[CH3:62])([CH3:63])[CH3:64].[Cl:74][CH2:75][Cl:76]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][N:52]3[CH2:51][CH2:50][N:49]([c:41]4[n:40]([CH2:39][CH2:38][O:37][CH2:35][CH3:36])[c:44]5[c:43]([n:42]4)[cH:48][cH:47][cH:46][cH:45]5)[CH2:55][CH2:54][CH2:53]3)([c:20]3[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:28][c:29]([O:33][CH3:34])[c:30]1[O:31][CH3:32]Participants
7
Sources & evidence
- ORD record
- ord-98aaa3d546db4fe1a608248f66862f34
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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