Toluene → 2-(chloroethyl)-2,3-dihydro-4-methylpyrido[3,2-f]-1,4-oxazepine-5(4H)thione
Reaction equation
[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[CH3:38][C:39]#[N:40].[Cl:15][CH2:16][CH2:17][CH:18]1[O:19][c:20]2[c:21]([cH:27][cH:28][cH:29][n:30]2)[C:22](=[O:26])[N:23]([CH3:25])[CH2:24]1.[P:1]12(=[S:2])[S:3][P:4]3(=[S:14])[S:5][P:6](=[S:12])([S:7][P:8](=[S:11])([S:9]3)[S:10]1)[S:13]2>>[S:2]=[C:22]1[c:21]2[c:20]([n:30][cH:29][cH:28][cH:27]2)[O:19][CH:18]([CH2:17][CH2:16][Cl:15])[CH2:24][N:23]1[CH3:25]Participants
5
Sources & evidence
- ORD record
- ord-f09d37694bd2498ebc6b53cc88dada4b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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