Benzothiazole → 4-(Benzo[d]thiazol-2-yl(5-ethoxy-2-fluoro-3-isopropoxyphenyl)methylamino)benzonitrile
Reaction equation
[CH2:15]([CH3:16])[O:17][c:18]1[cH:19][c:20]([O:35][CH:36]([CH3:37])[CH3:38])[c:21]([F:34])[c:22]([CH:23]=[N:24][c:25]2[cH:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]2)[cH:33]1.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:10][CH2:11][CH2:12][CH2:13][Li:14].[cH:1]1[cH:2][cH:3][c:4]2[s:5][cH:6][n:7][c:8]2[cH:9]1>>[cH:1]1[cH:2][cH:3][c:4]2[s:5][c:6]([N:24]([CH2:23][c:22]3[c:21]([F:34])[c:20]([O:35][CH:36]([CH3:37])[CH3:38])[cH:19][c:18]([O:17][CH2:15][CH3:16])[cH:33]3)[c:25]3[cH:26][cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]3)[n:7][c:8]2[cH:9]1Participants
5
Sources & evidence
- ORD record
- ord-4185aa0c30324e6d8a03fa634f991815
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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