Acetonitrile → (9-(3-(Diethoxymethyl)phenethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)(5-methylthiophen-2-yl)methanone
Reaction equation
[CH3:1][S:2]([O:3][CH2:6][CH2:7][c:8]1[cH:9][c:10]([CH:14]([O:15][CH2:16][CH3:17])[O:18][CH2:19][CH3:20])[cH:11][cH:12][cH:13]1)(=[O:4])=[O:5].[CH3:28][c:29]1[cH:30][cH:31][c:32]([C:34](=[O:35])[N:36]2[CH2:37][CH2:38][O:39][C:40]3([CH2:41]2)[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]3)[s:33]1.[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:54][C:55]#[N:56].[F:21][C:22]([F:23])([F:24])[C:25]([OH:26])=[O:27]>>[CH2:6]([CH2:7][c:8]1[cH:9][c:10]([CH:14]([O:15][CH2:16][CH3:17])[O:18][CH2:19][CH3:20])[cH:11][cH:12][cH:13]1)[N:44]1[CH2:43][CH2:42][C:40]2([O:39][CH2:38][CH2:37][N:36]([C:34]([c:32]3[cH:31][cH:30][c:29]([CH3:28])[s:33]3)=[O:35])[CH2:41]2)[CH2:46][CH2:45]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-c404936ee57f44f5a847d645e79df7f3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…