Acetonitrile → HCID 178447050, compound
Reaction equation
[CH2:29]([c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[N:36]([C:37](=[O:38])[NH:39][CH:40]([CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[C:48](=[O:49])[OH:50])[CH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:58][C:59]#[N:60].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH2:8][CH:9]([CH:10]=[CH2:11])[CH:12]([CH3:13])[CH3:14])[OH:15])[CH2:16][CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1)[CH2:23][c:24]1[n:25][cH:26][nH:27][cH:28]1>>[NH:1]([CH:2]([C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH2:8][CH:9]([CH:10]=[CH2:11])[CH:12]([CH3:13])[CH3:14])[OH:15])[CH2:16][CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1)[CH2:23][c:24]1[n:25][cH:26][nH:27][cH:28]1)[C:48]([CH:40]([NH:39][C:37]([N:36]([CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[CH2:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)=[O:38])[CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)=[O:49]Participants
4
Sources & evidence
- ORD record
- ord-869a223ad15e4649a07cbccb8a060f88
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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