Acetonitrile → HCID 54038612, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[N:9]1[CH2:10][CH2:11][c:12]2[c:13]([CH3:29])[c:14]([CH2:26][CH2:27][Cl:28])[c:15]([CH3:25])[c:16]([NH:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[c:17]21.[CH3:48][C:49]#[N:50].[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35][O:36][CH2:37][CH2:38][O:39][CH2:40][CH2:41][O:42][CH2:43][CH2:44][O:45][CH2:46][CH2:47]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[N:9]1[CH2:10][CH2:11][c:12]2[c:13]([CH3:29])[c:14]([CH2:26][CH2:27][C:49]#[N:50])[c:15]([CH3:25])[c:16]([NH:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[c:17]21Participants
4
Sources & evidence
- ORD record
- ord-77a85896a869481abf6ddde7c7c147d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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