Acetonitrile → HCID 20774437, compound
Reaction equation
[C:43](#[N:44])[CH3:45].[CH:46]([NH:47][CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[NH2:1][CH:2]([CH:3]([CH2:4][N:5]([S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11]2[c:12]([cH:16][cH:17]1)[O:13][CH2:14][O:15]2)[CH2:18][C:19]([CH2:20][CH2:21][CH2:22][C:23]#[N:24])([CH3:25])[CH3:26])[OH:27])[CH2:28][c:29]1[cH:30][cH:31][c:32]([O:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:33][cH:34]1.[O:53]1[CH2:54][CH:55]([O:58][C:59](=[O:60])[O:61][N:62]2[C:63](=[O:64])[CH2:65][CH2:66][C:67]2=[O:68])[CH2:56][CH2:57]1>>[NH:1]([CH:2]([CH:3]([CH2:4][N:5]([S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11]2[c:12]([cH:16][cH:17]1)[O:13][CH2:14][O:15]2)[CH2:18][C:19]([CH2:20][CH2:21][CH2:22][C:23]#[N:24])([CH3:25])[CH3:26])[OH:27])[CH2:28][c:29]1[cH:30][cH:31][c:32]([O:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:33][cH:34]1)[C:59]([O:58][CH:55]1[CH2:54][O:53][CH2:57][CH2:56]1)=[O:60]Participants
5
Sources & evidence
- ORD record
- ord-bd4631b08b714a14acfc381846774458
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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