Toluene → 3-(4-Chloro-phenyl)-1-(4-methoxy-2-methyl-benzyl)-1,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene-6-carboxylic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12](-[c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[n:13][nH:14][c:15]2[CH2:16][CH2:17]1.[C:36]([CH:37]=[P:38]([CH2:39][CH2:40][CH2:41][CH3:42])([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])#[N:51].[CH3:25][O:26][c:27]1[cH:28][c:29]([CH3:35])[c:30]([CH2:31][Cl:32])[cH:33][cH:34]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12](-[c:18]3[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[n:13][n:14]([CH2:31][c:30]3[c:29]([CH3:35])[cH:28][c:27]([O:26][CH3:25])[cH:34][cH:33]3)[c:15]2[CH2:16][CH2:17]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-f547c4ad009e434aaceb07686c753534
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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