Acetonitrile → [2-Methoxy-5-(tetrazol-1-yl)phenyl]-[3-phenyl-3-[2-[4-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-1-yl]methanone
Reaction equation
[CH3:24][O:25][c:26]1[c:27]([C:37](=[O:38])[N:39]2[CH2:40][C:41]([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)([CH2:50][CH2:51][O:52][S:53]([CH3:54])(=[O:55])=[O:56])[CH2:42][CH2:43]2)[cH:28][c:29](-[n:32]2[n:33][n:34][n:35][cH:36]2)[cH:30][cH:31]1.[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH3:64][C:65]#[N:66].[IH:1].[IH:2].[N:3]1([c:10]2[n:11][c:12]3[c:13]([n:14]2[CH2:15][C:16]([F:17])([F:18])[F:19])[cH:20][cH:21][cH:22][cH:23]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][C:16]([F:17])([F:18])[F:19])[cH:20][cH:21][cH:22][cH:23]3)[CH2:4][CH2:5][N:6]([CH2:51][CH2:50][C:41]2([c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[CH2:40][N:39]([C:37]([c:27]3[c:26]([O:25][CH3:24])[cH:31][cH:30][c:29](-[n:32]4[n:33][n:34][n:35][cH:36]4)[cH:28]3)=[O:38])[CH2:43][CH2:42]2)[CH2:7][CH2:8][CH2:9]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-6892f64d1e4e44bfbe64b2ef7819ae3d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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