N,N-Diethylaniline → 2-(4-tert-butylphenyl)-7-chloro-6-nitro-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][n:13]3[c:14]([n:15][c:16]([OH:23])[c:17]([N+:20](=[O:21])[O-:22])[c:18]3=[O:19])[s:24]2)[cH:9][cH:10]1.[CH2:30]([N:31]([CH2:32][CH3:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH3:40].[P:25]([Cl:26])([Cl:27])([Cl:28])=[O:29]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][n:13]3[c:14]([n:15][c:16]([Cl:27])[c:17]([N+:20](=[O:21])[O-:22])[c:18]3=[O:19])[s:24]2)[cH:9][cH:10]1Participants
4
Sources & evidence
- ORD record
- ord-bc5a60fc54e140238b2c171950d5d585
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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