Acetonitrile → HCID 57009637, compound
Reaction equation
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:14][CH2:15][CH:16]3[N:17]([C:21]([CH:22]([CH3:23])[N:24]([CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[CH:31]4[CH2:32][CH2:33]4)=[O:34])[CH2:18][CH2:19][CH2:20]3)[n:9]([CH2:12][CH3:13])[c:10]2[cH:11]1.[CH2:44]([O:45][C:46](=[O:47])[CH2:48][Br:49])[CH3:50].[CH3:51][C:52]#[N:53].[CH:35]([N:38]([CH:36]([CH3:37])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43]>>[C:1]([NH2:2])([c:3]1[cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:14][CH2:15][CH:16]3[N:17]([C:21]([CH:22]([CH3:23])[N:24]([CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[CH:31]4[CH2:32][CH2:33]4)=[O:34])[CH2:18][CH2:19][CH2:20]3)[n:9]([CH2:12][CH3:13])[c:10]2[cH:11]1)=[NH:38]Participants
5
Sources & evidence
- ORD record
- ord-0aac24ddd91a4afa88105340131e31be
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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