Acetonitrile → HCID 178447061, compound
Reaction equation
[C:19]([NH2:20])(=[O:21])[CH2:22][CH:23]([C:24](=[O:25])[OH:26])[O:27][C:28]([CH:29]([CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)=[O:44].[CH3:45][C:46]#[N:47].[NH2:1][CH:2]([CH:3]([OH:4])[CH2:5][CH:6]([CH:7]=[CH2:8])[CH:9]([CH3:10])[CH3:11])[CH2:12][CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1>>[NH:1]([CH:2]([CH:3]([OH:4])[CH2:5][CH:6]([CH:7]=[CH2:8])[CH:9]([CH3:10])[CH3:11])[CH2:12][CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[C:24]([CH:23]([CH2:22][C:19]([NH2:20])=[O:21])[O:27][C:28]([CH:29]([CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)=[O:44])=[O:25]Participants
4
Sources & evidence
- ORD record
- ord-8e6ab9246f694d71b030804f5c385c4b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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