Acetonitrile → [2-Methoxy-5-(tetrazol-1-yl)phenyl]-[3-phenyl-3-[2-[4-[1-(4,4,4-trifluorobutyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]methanone
Reaction equation
[CH3:26][O:27][c:28]1[c:29]([C:39](=[O:40])[N:41]2[CH2:42][C:43]([c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)([CH2:52][CH2:53][O:54][S:55]([CH3:56])(=[O:57])=[O:58])[CH2:44][CH2:45]2)[cH:30][c:31](-[n:34]2[n:35][n:36][n:37][cH:38]2)[cH:32][cH:33]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[CH3:66][C:67]#[N:68].[IH:1].[IH:2].[N:3]1([c:10]2[n:11][c:12]3[c:13]([n:14]2[CH2:15][CH2:16][CH2:17][C:18]([F:19])([F:20])[F:21])[cH:22][cH:23][cH:24][cH:25]3)[CH2:4][CH2:5][NH:6][CH2:7][CH2:8][CH2:9]1>>[N:3]1([c:10]2[n:11][c:12]3[c:13]([n:14]2[CH2:15][CH2:16][CH2:17][C:18]([F:19])([F:20])[F:21])[cH:22][cH:23][cH:24][cH:25]3)[CH2:4][CH2:5][N:6]([CH2:53][CH2:52][C:43]2([c:46]3[cH:47][cH:48][cH:49][cH:50][cH:51]3)[CH2:42][N:41]([C:39]([c:29]3[c:28]([O:27][CH3:26])[cH:33][cH:32][c:31](-[n:34]4[n:35][n:36][n:37][cH:38]4)[cH:30]3)=[O:40])[CH2:45][CH2:44]2)[CH2:7][CH2:8][CH2:9]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-46a6a31c124844bab179c57d24ccf04c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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