Toluene → 2-hexylthio-7-(1-propynyl)-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
Reaction equation
[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH:27]#[C:28][CH3:29].[I-:26].[I:1][c:2]1[n:3][c:4]2[n:5]([c:6](=[O:8])[cH:7]1)[n:9][c:10]([S:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[s:11]2.[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1>>[c:2]1([C:27]#[C:28][CH3:29])[n:3][c:4]2[n:5]([c:6](=[O:8])[cH:7]1)[n:9][c:10]([S:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[s:11]2Participants
7
Sources & evidence
- ORD record
- ord-79069b30daf541a495a4464df7ade93f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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