Toluene → 2-(2-Chloroethyl)-2,3-dihydro-4-methylnaphth[2,1-f][1,4]oxazepine-5(4H)-thione
Reaction equation
[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl:15][CH2:16][CH2:17][CH:18]1[O:19][c:20]2[c:21]([cH:27][cH:28][c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]23)[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]([c:34]3[c:29]([cH:28][cH:27]2)[cH:30][cH:31][cH:32][cH:33]3)[O:19][CH:18]([CH2:17][CH2:16][Cl:15])[CH2:24][N:23]1[CH3:25]Participants
4
Sources & evidence
- ORD record
- ord-d2b13324d36f483a8177d6596e45b90c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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