Diethyl Ether → HCID 11430818, compound
Reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[CH:1]([N-:4][CH:2]([CH3:3])[CH3:5])([CH3:6])[CH3:7].[Cl:9][c:10]1[cH:11][cH:12][c:13](-[n:16]2[c:17](-[c:28]3[c:29]([Cl:35])[cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[n:18][c:19]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:20]2)[cH:14][cH:15]1.[Li+:8].[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([C:42]#[N:43])(=[O:44])=[O:45])[cH:46][cH:47]1>>[C:1](#[N:4])[c:20]1[n:16](-[c:13]2[cH:12][cH:11][c:10]([Cl:9])[cH:15][cH:14]2)[c:17](-[c:28]2[c:29]([Cl:35])[cH:30][c:31]([Cl:34])[cH:32][cH:33]2)[n:18][c:19]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27]Participants
7
Sources & evidence
- ORD record
- ord-7a7d3f8548804e579b063661b77517fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…