Toluene → [4-(1H-indol-3-ylmethylene)-5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl]-acetic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]1[c:9]2[c:10]([cH:25][cH:26][cH:27][cH:28]2)-[n:11]2[c:12](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[n:13][n:14][c:15]2[CH2:16][C:17]1=[O:18])=[O:29].[CH2:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[nH:30]1[cH:31][c:32]([CH:39]=[O:40])[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]12>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]1[c:9]2[c:10]([cH:25][cH:26][cH:27][cH:28]2)-[n:11]2[c:12](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[n:13][n:14][c:15]2[C:16](=[CH:39][c:32]2[cH:31][nH:30][c:38]3[c:33]2[cH:34][cH:35][cH:36][cH:37]3)[C:17]1=[O:18])=[O:29]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-2afb997a375143acb390278ac900c399
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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