Toluene → [1-[[5-Tert-butyl-2-(5-cyano-2-methoxybenzenecarbothioyl)imino-1,3-thiazol-3-yl]methyl]cyclobutyl] acetate
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][C:5]1([CH2:9][n:10]2[c:11](=[N:19][C:20]([c:21]3[c:22]([O:29][CH3:30])[cH:23][cH:24][c:25]([C:27]#[N:28])[cH:26]3)=[O:31])[s:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]2)[CH2:6][CH2:7][CH2:8]1.[CH3:32][O:33][c:34]1[cH:35][cH:36][c:37]([P:38]2(=[S:39])[S:40][P:42](=[S:43])([c:44]3[cH:45][cH:46][c:47]([O:48][CH3:49])[cH:50][cH:51]3)[S:41]2)[cH:52][cH:53]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[C:1]([CH3:2])(=[O:3])[O:4][C:5]1([CH2:9][n:10]2[c:11](=[N:19][C:20]([c:21]3[c:22]([O:29][CH3:30])[cH:23][cH:24][c:25]([C:27]#[N:28])[cH:26]3)=[S:41])[s:12][c:13]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:14]2)[CH2:6][CH2:7][CH2:8]1Participants
4
Sources & evidence
- ORD record
- ord-f4ae54044df641cfab60e744b22d392e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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