Benzene → N-(beta-chloroethyl)-N-methyl-N'-(2-t-butyl-1,3,4-thiadiazol-5-yl)urea
Reaction equation
[OH:1][CH2:2][CH2:3][N:4]([C:5](=[O:6])[NH:7][c:8]1[n:9][n:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[s:12]1)[CH3:17].[S:18]([Cl:19])([Cl:20])=[O:21].[cH:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>>[CH2:2]([CH2:3][N:4]([C:5](=[O:6])[NH:7][c:8]1[n:9][n:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[s:12]1)[CH3:17])[Cl:20]Participants
4
Sources & evidence
- ORD record
- ord-2a9b5077be6b4601bafcf0aaf1ecda62
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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