Acetic Acid → 1-Ethyl-3-(3,4,5-trimethoxyphenylthio)-1-(2-thienyl)propyl isocyanide
Reaction equation
[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH3:37][O:38][c:39]1[cH:40][c:41]([S:49][CH2:50][CH2:51][Cl:52])[cH:42][c:43]([O:47][CH3:48])[c:44]1[O:45][CH3:46].[CH3:58][C:59](=[O:60])[OH:61].[CH3:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13].[CH:19]([N-:20][CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Li+:26].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[s:27]1[c:28]([CH:32]([CH2:33][CH3:34])[N+:35]#[C-:36])[cH:29][cH:30][cH:31]1>>[s:27]1[c:28]([C:32]([CH2:33][CH3:34])([N+:35]#[C-:36])[CH2:51][CH2:50][S:49][c:41]2[cH:40][c:39]([O:38][CH3:37])[c:44]([O:45][CH3:46])[c:43]([O:47][CH3:48])[cH:42]2)[cH:29][cH:30][cH:31]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-214e2d89ab5647e2a7e294d20efedc99
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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