Ethyl Acetate → 1-(4-t-butylbenzyl)-3-(1-methyl-1H-pyrrol-2-yl)methylthiourea
Reaction equation
[C:9]([CH3:10])([CH3:11])([CH3:12])[c:13]1[cH:14][cH:15][c:16]([CH2:17][N:18]=[C:19]=[S:20])[cH:21][cH:22]1.[CH3:1][n:2]1[c:3]([CH2:7][NH2:8])[cH:4][cH:5][cH:6]1.[CH3:23][CH2:24][O:25][C:26](=[O:27])[CH3:28]>>[CH3:1][n:2]1[c:3]([CH2:7][NH:8][C:19]([NH:18][CH2:17][c:16]2[cH:15][cH:14][c:13]([C:9]([CH3:10])([CH3:11])[CH3:12])[cH:22][cH:21]2)=[S:20])[cH:4][cH:5][cH:6]1Participants
4
Sources & evidence
- ORD record
- ord-8e7fbd9be43c4926bf75cfdc88893f10
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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