Chloride → 5-(3,3-Dimethyl-but-1-ynyl)-3-[(4-methyl-cyclohexanecarbonyl)-(1-oxa-spiro[2.5]oct-6-yl)-amino]-thiophene-2-carboxylic acid methyl ester
Reaction equation
[CH2:41]([O:42][CH2:43][CH3:44])[CH3:45].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:46][S:47]([CH3:48])=[O:49].[CH3:4][S+:5]([CH3:6])([CH3:7])=[O:8].[CH3:9][O:10][C:11](=[O:12])[c:13]1[s:14][c:15]([C:35]#[C:36][C:37]([CH3:38])([CH3:39])[CH3:40])[cH:16][c:17]1[N:18]([CH:19]1[CH2:20][CH2:21][C:22](=[O:25])[CH2:23][CH2:24]1)[C:26](=[O:27])[CH:28]1[CH2:29][CH2:30][CH:31]([CH3:34])[CH2:32][CH2:33]1.[Cl-:3].[H-:2].[Na+:1]>>[CH2:4]1[C:22]2([CH2:21][CH2:20][CH:19]([N:18]([c:17]3[c:13]([C:11]([O:10][CH3:9])=[O:12])[s:14][c:15]([C:35]#[C:36][C:37]([CH3:38])([CH3:39])[CH3:40])[cH:16]3)[C:26](=[O:27])[CH:28]3[CH2:29][CH2:30][CH:31]([CH3:34])[CH2:32][CH2:33]3)[CH2:24][CH2:23]2)[O:25]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-03cb709d4c8c4a5896fd7b5cd4c49b05
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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