Acetonitrile → HCID 178440294, compound
Reaction equation
[CH3:1][c:2]1[cH:3][n:4][n:5]2[n:6][c:7]([CH2:47][CH2:48][CH3:49])[n:8]([CH2:10][c:11]3[cH:12][cH:13][c:14](-[c:17]4[c:18](-[c:23]5[n:24][n:25][n:26][n:27]5[C:28]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)([c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[c:41]5[cH:42][cH:43][cH:44][cH:45][cH:46]5)[cH:19][cH:20][cH:21][cH:22]4)[cH:15][cH:16]3)[c:9]12.[CH3:50][C:51]#[N:52]>>[CH3:1][c:2]1[cH:3][n:4][n:5]2[n:6][c:7]([CH2:47][CH2:48][CH3:49])[n:8]([CH2:10][c:11]3[cH:12][cH:13][c:14](-[c:17]4[c:18](-[c:23]5[nH:24][n:25][n:26][n:27]5)[cH:19][cH:20][cH:21][cH:22]4)[cH:15][cH:16]3)[c:9]12Participants
3
Sources & evidence
- ORD record
- ord-cce17ad9b2cf415f969a9954b754d90c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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